This paper addresses a master-slave synchro- nization strategy for complex dynamic systems based on feedback control. This strategy is applied to 3-DOF pla- nar manipulators in order to obtain synchronization in such ...This paper addresses a master-slave synchro- nization strategy for complex dynamic systems based on feedback control. This strategy is applied to 3-DOF pla- nar manipulators in order to obtain synchronization in such complicated as chaotic motions of end-effectors. A chaotic curve is selected from Duffing equation as the trajectory of master end-effector and a piecewise approximation method is proposed to accurately represent this chaotic trajectory of end-effectors. The dynamical equations of master-slave manipulators with synchronization controller are derived, and the Lyapunov stability theory is used to determine the stability of this controlled synchronization system. In numer- ical experiments, the synchronous motions of end-effectors as well as three joint angles and torques of master-slave manipulators are studied under the control of the proposed synchronization strategy. It is found that the positive gain matrix affects the implementation of synchronization con- trol strategy. This synchronization control strategy proves the synchronization's feasibility and controllability for com- plicated motions generated by master-slave manipulators.展开更多
This paper investigates the motion planning of redundant free-floating manipulators with seven prismatic joints. On the earth, prismatic-jointed manipulators could only position their end-effectors in a desired way. H...This paper investigates the motion planning of redundant free-floating manipulators with seven prismatic joints. On the earth, prismatic-jointed manipulators could only position their end-effectors in a desired way. However, in space, the end-effectors of free-floating manipulators can achieve both the desired orientation and desired position due to the dynamical coupling between manipulator and satellite movement, which is formally expressed by linear and angular momentum conservation laws. In this study, a tractable algorithm particle swarm optimization combined with differential evolution (PSODE) is provided to deal with the motion planning of redundant free-floating prismatic-jointed manipulators, which could avoid the pseudo inverse of the Jacobian matrix. The polynomial functions, as argument in sine functions are used to specify the joint paths. The co- efficients of the polynomials are optimized to achieve the desired end-effector orientation and position, and simulta- neously minimize the unit-mass-kinetic energy using the redundancy. Relevant simulations prove that this method pro- vides satisfactory smooth paths for redundant free-floating prismatic-jointed manipulators. This study could help to recognize the advantages of redundant prismatic-jointed space manipulators.展开更多
A new mono-nuclear CuII complex [Cu(DPP)(DP)Br](ClO4)H2O (DPP = 2-(3,5- dimethyl-1H-pyrazol-1-yl)-1,10-phenanthroline, DP = 3,5-dimethyl-1H-pyrazole) has been syn- thesized with 2-(3,5-dimethyl-1H-pyrazol-1...A new mono-nuclear CuII complex [Cu(DPP)(DP)Br](ClO4)H2O (DPP = 2-(3,5- dimethyl-1H-pyrazol-1-yl)-1,10-phenanthroline, DP = 3,5-dimethyl-1H-pyrazole) has been syn- thesized with 2-(3,5-dimethyl-1H-pyrazol-1-yl)-1,10-phenanthroline and 3,5-dimethyl-1H-pyrazole as ligands, and its crystal structure was determined by X-ray crystallography. The crystal is of monoclinic system, space group P21/c with a = 13.765(2), b = 17.044(3), c = 10.9044(16), β= 97.112(2)°, V = 2538.5(6)3, Z = 4, C22H24BrClCuN6O5, Mr = 631.37, Dc = 1.652 g/cm3, F(000) = 1276 and μ= 2.585 mm-1. In the crystal, DPP functions as a tridentate ligand and CuII ions assume a distorted square pyramidal geometry with Br atom lying on the apex, and at the same time, there is π-π stacking between adjacent complexes, which deals with two 1,10-phenanthroline plane rings. In addition to the π-π stacking, there are C-H···Br non-classic hydrogen bonds between adjacent complexes. The theoretical calculations reveal that the π-π stacking and C-H···Br non-classic hydrogen bond result in a weak anti-ferromagnetic interaction with 2J = -5.34 cm-1 and a weak ferromagnetic 2J = 5.92 cm-1, respectively. The magnetic coupling sign from the π-π stacking could be explained with McConnell I spin-polarization mechanism.展开更多
The reaction of 6,7-dicyanodipyridoquinoxaline (DICNQ) with AgNO3 in a 1:1 molar ratio by solution method gave a new complex [Ag(DICNQ)2]NO3 1. Single-crystal X-ray diffraction analysis reveals that the complex c...The reaction of 6,7-dicyanodipyridoquinoxaline (DICNQ) with AgNO3 in a 1:1 molar ratio by solution method gave a new complex [Ag(DICNQ)2]NO3 1. Single-crystal X-ray diffraction analysis reveals that the complex crystallizes in the space group Ibca of orthorhombic system with eight formula units in a cell. Crystal data for 1: a = 15.7055(17), b = 18.411(2), c = 20.680(2)A, V = 5979.7(11)A3, Z = 8, C32Hl2AgN13O3, Mr = 734.42, Dc = 1.632 g/cm3, μ= 0.734 mm-1, F(000) = 2928, S = 1.023 and T= 293(2) K. The final R = 0.0659 and wR = 0.1927 for 2118 observed reflections with I 〉 2σ(I), and R = 0.0801 and wR = 0.2196 for all data. The complex builds up a packing structure by π-π stacking interactions and shows a luminescent feature.展开更多
A new coordination polymer, {[Cd(OPY)(tdc)(HO)]·H2 O}n(OPY = 4,4?-(oxybis(4,1-phenylene))dipyridine, H2 tdc = thiophene-2,5-dicarboxylic acid), has been synthesized hydrothermally based on a V-shaped ligand OPY. ...A new coordination polymer, {[Cd(OPY)(tdc)(HO)]·H2 O}n(OPY = 4,4?-(oxybis(4,1-phenylene))dipyridine, H2 tdc = thiophene-2,5-dicarboxylic acid), has been synthesized hydrothermally based on a V-shaped ligand OPY. The structure was fully characterized by elemental analysis, FT-IR spectroscopy, and X-ray single-crystal diffraction analysis. In1, two OPY ligands and one water molecule acted as terminal ligands coordinating to Cdcation to form [Cd(OPY)HO]units, which are then linked by tdc2-ligands to generate a one-dimensional chain. Every two adjacent chains linked by extensive O–H···O hydrogen bonds constitute one-dimensional double-chains, and such chains are extended into two-dimensional layers via O–H···N hydrogen bonds. These layers are further connected to form a three-dimensional supramolecular architecture via π-π stacking interactions. In addition, the thermal stability and solid state fluorescence property of 1 were also investigated.展开更多
A novel three-dimensional(3D) supramolecular architecture, {[Nd(OH-BDC)(OH-HBDC)(H2O)2]·2HaO)n(1) (OH-H2BDC=5-hydroxyisophthalic acid), which was formed through hydrogen bonds and π-π stacking betw...A novel three-dimensional(3D) supramolecular architecture, {[Nd(OH-BDC)(OH-HBDC)(H2O)2]·2HaO)n(1) (OH-H2BDC=5-hydroxyisophthalic acid), which was formed through hydrogen bonds and π-π stacking between two-dimensional(2D) layers, was hydrothermally synthesized and characterized by single-crystal X-ray diffraction. Windmill building blocks, which consist of two nine-coordinated metal centers and four OH-H2BDC groups are connected through two carboxyl groups, to lead to a one-dimensional infinite inorganic chain(… M--O--C--O--M…) along the [100] direction. An observed intense blue luminescence with an emission band peaked at 390 nm for compound 1 may results from ligand-to-metal charge transfer(LMCT). Variable-temperature magnetic susceptibility of compound 1 was investigated and the value was deviated from the Curie-Weiss law.展开更多
Unconsolidated sandstone reservoirs are most susceptible to sand production that leads to a dramatic oil production decline.In this study,the poly(4-vinyl pyridine)(P_(4)VP)incorporated with self-aggregating behavior ...Unconsolidated sandstone reservoirs are most susceptible to sand production that leads to a dramatic oil production decline.In this study,the poly(4-vinyl pyridine)(P_(4)VP)incorporated with self-aggregating behavior was proposed for sand migration control.The P_(4)VP could aggregate sand grains spontaneously throughπ-πstacking interactions to withstand the drag forces sufficiently.The influential factors on the self-aggregating behavior of the P_(4)VP were evaluated by adhesion force test.The adsorption as well as desorption behavior of P_(4)VP on sand grains was characterized by scanning electron microscopy and adhesion force test at different pH conditions.The result indicated that the pH altered the forms of surface silanol groups on sand grains,which in turn affected the adsorption process of P_(4)VP.The spontaneous dimerization of P_(4)VP molecules resulting from theπ-πstacking interaction was demonstrated by reduced density gradient analysis,which contributed to the self-aggregating behavior and the thermally reversible characteristic of the P_(4)VP.Dynamic sand stabilization test revealed that the P_(4)VP showed wide pH and temperature ranges of application.The production of sands can be mitigated effectively at 20-130℃ within the pH range of 4-8.展开更多
A new mono-nuclear Mn(Ⅱ) complex [Mn(MPT)2(NCS)(HOCH3)]ClO4(MPT = 2-methoxyl-1,10-phenanthroline) has been synthesized with 2-methoxyl-1,10-phenanthroline and thiocyanate anion as ligands,and its crystal st...A new mono-nuclear Mn(Ⅱ) complex [Mn(MPT)2(NCS)(HOCH3)]ClO4(MPT = 2-methoxyl-1,10-phenanthroline) has been synthesized with 2-methoxyl-1,10-phenanthroline and thiocyanate anion as ligands,and its crystal structure was determined by X-ray crystallography.The crystal data:monoclinic system,space group P21/c with a = 12.8849(17),b = 15.684(2),c = 14.2703(19) ,β = 92.126(2)°,V = 2881.9(7) 3,Z = 4,C28H24ClMnN5O7S,Mr = 664.97,Dc = 1.533 g/cm3,F(000) = 1364 and μ = 0.679 mm-1.In the crystal,MPT functions as a bidentate ligand and Mn(Ⅱ) ion assumes a distorted octahedral geometry.In the crystal there are two types of π-π stacking interactions among the adjacent complexes,which involves 1,10-phenanthroline rings.The theoretical calculations reveal that the two types of π-π stacking resulted in a weak anti-ferromagnetic coupling with 2J =-14.68 cm-1 and a weak ferromagnetic coupling with 2J = 0.70 cm-1,respectively.The theoretical calculations also reveal that there are both spin polarization and spin delocalization in the two π-π stacking systems,and the magnetic coupling signs are unable to explain with McConnell I spin-polarization mechanism.展开更多
Room temperature sputtered inorganic nickel oxide(NiO_(x))is one of the most promising hole transport layers(HTL)for perovskite-sillion 2-terminal tandem solar cells with the aid of ultrathin and compact organic layer...Room temperature sputtered inorganic nickel oxide(NiO_(x))is one of the most promising hole transport layers(HTL)for perovskite-sillion 2-terminal tandem solar cells with the aid of ultrathin and compact organic layers to passivate the surface defects.In this study,the aromatic solvent with different substituent groups was used to regulate the conformation of poly[bis(4-phenyl)(2,4,6-trimethylphenyl)am ine](PTAA)layer.As a result,the single-junction perovskite solar cell(PSC)gained a power conversion efficiency(PCE)of 20.63%,contributing to a 27.21%efficiency for monolithic perovskite/silicon(double-side polished)2-terminal tandem solar cell,by applying the alkyl aromatic solvent to enhance theπ-πstacking of PTAA molecular chains.The tandem solar cell can maintain 95%initial efficiency after aging over 1000 h.This study provides a universal approach for improving the photovoltaic performance of NiO_(x)/polymer-based perovskite/silicon tandem solar cells and other single junction inverted PSCs.展开更多
Non covalent interactions are quite common in all kinds of π-systems, such as π-π interactions, long range/short range van der waal force of interactions, ion-π interactions etc. Ab initio calculations are well es...Non covalent interactions are quite common in all kinds of π-systems, such as π-π interactions, long range/short range van der waal force of interactions, ion-π interactions etc. Ab initio calculations are well established and account well for the experimental long range interaction energies for small clusters of aromatic molecules and most of the calculations were carried out using the MPn methods. If a reasonably large basis set is used to calculate the stacking interaction energies for a cluster (dimer, trimer etc.) of aromatic molecules then the electron-electron correlation energy may be properly calculated. Moreover, ab initio calculations for aromatic π-systems show that the calculated stacking interaction energies highly depend on the basis set used and the electron correlation energy. In this investigation, the electron correlation of the stacked hydrated phenol systems has been accounted at MP2 level of calculations. We have calculated the π-π stacking interaction energies of the hydrated phenolic systems with different conformations.展开更多
Aromatic systems like phenol, diphenol, cyano benzene, chloro benzene, aniline etc shows effective π-π stacking interactions, long range van der Waals forces;ion-π interactions etc. and these forces of interactions...Aromatic systems like phenol, diphenol, cyano benzene, chloro benzene, aniline etc shows effective π-π stacking interactions, long range van der Waals forces;ion-π interactions etc. and these forces of interactions play an crucial role in the stability of stacked π-dimeric system. On the other hand, substituents and conformational change in the stacked dimmers of aromatic system may also change the stability of different stacked dimers. In this current study, stacked phenolic dimmers (both phenol and diphenol) have been taken for investigation of the stacking π-π interaction. But, the stacking interactions are also greatly affected by the conformational change with internal rotation (i.e. dihedral angle, φ) between the stacked dimers. It is generally accepted that larger basis sets are required for the highly accurate calculation of interaction energies for any stacked aromatic models. But, it has recently been reported that M062X/6-311++G(d,p) basis set is effectively better than that of B3LYP/6-311++G(d,p) for determining the interaction energies for any kind of long range interaction in aromatic systems. Therefore, all the calculations were carried out by using M062X/6-311++G(d,p) basis set. However, in most of the cases the calculated π-π stacking interaction energies show almost same result for both DFT and ab initio methods.展开更多
The interfacial interaction between HMX molecules and coating materials is the key to the safety performance of explosives and has received extensive attention.However,screening suitable coating agents to enhance the ...The interfacial interaction between HMX molecules and coating materials is the key to the safety performance of explosives and has received extensive attention.However,screening suitable coating agents to enhance the interfacial effect to obtain high-energy and low-sensitivity explosives has long been a major challenge.In this work,HMX-PEI/rGO/g-C_(3)N_(4)(HPrGC)composites were innovatively prepared by a multi-level coating strategy of two-dimensional graphite rGO and g-C_(3)N_(4).The g-C_(3)N_(4) used for desensitization has a richπ-conjugated system and shows outstanding ability in reducing friction sensitivity.The hierarchical structure of HPrGC formed by electrostatic self-assembly andπ-πstacking can effectively dissipate energy accumulation under heat and mechanical stimulation through structural evolution,thus exhibiting a prominent synergistic desensitization effect on HMX.The results show that rGO/gC_(3)N_(4) coating has no effect on the crystal structure and chemical structure of HMX.More importantly,the perfect combination of g-C_(3)N_(4) and rGO endows HPrGC with enhanced thermal stability and ideal mechanical sensitivity(IS:21 J,FS:216 N).Obviously,the new fabrication of HPrGC enriches the variety of desensitizer materials and helps to deepen the understanding of the interaction between explosives and coatings.展开更多
As an emerging organic semiconductor,perylene diimide(PDI)self-assembly has attracted tremendous attention in the aspects of solar cells,sensors,fluorescence probes and n-transistors,etc.In term of photocatalysis,vari...As an emerging organic semiconductor,perylene diimide(PDI)self-assembly has attracted tremendous attention in the aspects of solar cells,sensors,fluorescence probes and n-transistors,etc.In term of photocatalysis,various photocatalysts based on PDI self-assembly exhibit some unique properties,such as intrinsicΠ-Πstacking structure,fast internal charge transfer,band-like electronic structure,flexible structural modifiability,well-defined morphological adjustability and excellent light absorption.This paper mainly presents recent progress on PDI self-assembly regarding how to regulate the electronic structure of PDI self-assembly.In addition,the photocatalytic applications of PDI self-assembly and its complexes were reviewed,such as environmental remedy,energy productions,organic synthesis and photodynamic/photothermal therapy,further highlighting related photocatalytic mechanisms.Finally,the review contents and some perspectives on photocatalytic research of PDI selfassembly were summarized,and some key scientific problems were put forward to direct related photocatalytic research in future.展开更多
Forest losses or gains have long been recognized as critical processes modulating the carbon flux between the biosphere and the atmosphere. Timely, accurate and spatially explicit information on forest disturbance and...Forest losses or gains have long been recognized as critical processes modulating the carbon flux between the biosphere and the atmosphere. Timely, accurate and spatially explicit information on forest disturbance and recovery history is required for assessing the effectiveness of existing forest management. The major objectives of our research focused on testing the mapping efficacy of the vegetation change tracker (VCT) model over a forested area in China. We used a new version of VCT algorithm built upon the Landsat time series stacks (LTSS). The LTSS consisted of yearly image acquisitions to map forest disturbance history from 1987 to 2011 over the Ning-Zhen Mountains, Jiangsu Province of east China. The LTSS consisted of TM and ETM+ scenes with different projec- tions due to distinct data sources (Beijing remote sensing ground station and the USGS EROS Center). The valida- tion results of the disturbance year maps showed that most spatial agreement measures ranged from 70 to 86 %, comparable with the VCT accuracies reported for many places in USA. Very low accuracies were identified in 1995 (38.3 %) and 1992 (56.2 %) in the current analysis. These resulted from the insensitivity of the VCT algorithm to detect low intensity disturbances and also from the mis- registration errors of the image pairs. Major forest distur- bance types existing in our study area were identified as agricultural expansion (39.8 %), urbanization (24.9 %), forest management practice (19.3 %), and mining (12.8 %). In general, there was a gradual decreasing trend in forest cover throughout this region, caused principally by China's economic, demographic, environmental and political policies and decisions, as well as some weather events. While VCT has largely been used to assess long term changes and trends in the USA, it has great potential for assessing landscape level change elsewhere throughout the world.展开更多
A new Cu(Ⅱ) complex [Cu(4-cba)(1,10-phen)(H2O)2](NO3) (4-Hcba = 4-cyanobenzoic acid) has been synthesized by solvothermal reaction in an ethanol/water mixed solution at 100 ℃ and structurally characteriz...A new Cu(Ⅱ) complex [Cu(4-cba)(1,10-phen)(H2O)2](NO3) (4-Hcba = 4-cyanobenzoic acid) has been synthesized by solvothermal reaction in an ethanol/water mixed solution at 100 ℃ and structurally characterized by single-crystal X-ray diffraction. Crystallographic data: C20H16CuN4O7, Mr= 487.91, triclinic, space group PI, a = 7.8420(2), b = 9.1070(2), c = 15.1140(6) A, a = 76.889(9), β = 81.332(11), γ = 74.844( 11)°, V = 1009.89(5) A^3, Z = 2, Dc = 1.605 g/cm^3, F(000) = 498, μ = 1.134 mm^-1, the final R = 0.0379 and wR = 0.0865 for 2977 observed reflections with 1 〉 2σ(Ⅰ). The Cu(Ⅱ) atom is coordinated by two terminal water molecules, one chelating 1,10-phen molecule and one monodentate 4-cba ligand to form a slightly distorted square pyramid. The title complex molecules are connected through hydrogen bonds and π-π stacking interactions to generate a 2D layered network. The thermogravimetric analysis of the title complex has also been discussed.展开更多
A new Zn(II) complex, [Zn(L)(IPP)(H2O)]'2H2O(1, H2L = 3-carboxy-l-car- boxymethyl-2-oxidopyridinium and IPP = 2-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)phenol), was synthesized under hydrothermal condi...A new Zn(II) complex, [Zn(L)(IPP)(H2O)]'2H2O(1, H2L = 3-carboxy-l-car- boxymethyl-2-oxidopyridinium and IPP = 2-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)phenol), was synthesized under hydrothermal conditions and its structure was determined by single-crystal X-ray diffraction. It crystallizes in triclinic, space group Pi with a = 8.5023(17), b = 9.945(2), c = 15.573(3) A, a = 95.87(3), β = 102.56(3), y = 100.73(3)°, V= 1248.7(4) A3, Z= 2, C27H22N5O9Zn, Mr= 625.87, Dc = 1.665 g/cm^3, F(000) = 642, μ(MoKa) = 1.053 mm^-1, R = 0.0474 and wR = 0.1352. In 1, one L2-, one 1PP and one water molecule coordinate to the same Zn(II) atom to give a discrete complex with two lattice water molecules. Adjacent [Zn(L)(IPP)(H20)].2H20 molecules interact through π-π stacking between two IPP ligands to form a supramolecular chain. The N-H…O and O-H…N hydrogen bonds further stabilize the supramolecular chain structure of 1. The solid state luminescent property of 1 was also studied.展开更多
The polymeric solid, [Cu(bpy)(tp)(H2O)]n 1 (tp = terephthalate, bpy = 2,2'-bipyridine), has been obtained from the hydrothermal approach and characterized by X-ray diffraction, elemental analysis, IR spectra ...The polymeric solid, [Cu(bpy)(tp)(H2O)]n 1 (tp = terephthalate, bpy = 2,2'-bipyridine), has been obtained from the hydrothermal approach and characterized by X-ray diffraction, elemental analysis, IR spectra and thermogravimetric analysis. Compound 1 crystallizes in triclinic, space group P1 with a = 9.360(2), b = 9.872(2), c = 10.774(2)A, α = 106.281(5), β = 112.471(5), γ = 96.697(3)°, V = 854.5(3)A^3, Z = 2, GOF = 1.09, R = 0.0318 and wR = 0.0845. X-ray single-crystal analysis reveals that 1 is an interesting 3D staggered brickwall-like supramolecular array assembled through aromatic π-π stacking and hydrogen bonding interactions of 1D infinite zigzag polymeric chains.展开更多
5,7-Dimethoxy-2-phenylquinolin-4-yl phenyloxy (N-L-alanine ethyl ester) phosphoramidate (C28H29N2O7P, Mr = 536.17) has been synthesized by a facial phosphorylated reaction, and its structure was determined by IR, ...5,7-Dimethoxy-2-phenylquinolin-4-yl phenyloxy (N-L-alanine ethyl ester) phosphoramidate (C28H29N2O7P, Mr = 536.17) has been synthesized by a facial phosphorylated reaction, and its structure was determined by IR, NMR, HR MS and X-ray single-crystal diffraction. The crystal belongs to triclinic, space group P1^-, with a = 11.375(2), b = 11.591(2), c = 11.638(2) A^°, α= 109.46(3), β= 104.58(3), γ= 100.48(3)°, V = 1339.6(5)A^°^3, Z = 2, Dc = 1.330 g/cm^3,μ = 0.152 mm^-1, F(000) = 564, the final R = 0.0654 and wR = 0.1546. In the crystal structure, the title compound is constructed by a centrosymmetric dimmer unit composed of a pair of π-π stacking diastereoisomers. The compound has a noteworthy feature in the framework, and such units are linked by two equal intermolecular P=O…H-N hydrogen bonds.展开更多
基金supported by the Key Project of Chinese Ministry of Education(108037)the National Natural Science Foundation of China(10402008 and 50535010)
文摘This paper addresses a master-slave synchro- nization strategy for complex dynamic systems based on feedback control. This strategy is applied to 3-DOF pla- nar manipulators in order to obtain synchronization in such complicated as chaotic motions of end-effectors. A chaotic curve is selected from Duffing equation as the trajectory of master end-effector and a piecewise approximation method is proposed to accurately represent this chaotic trajectory of end-effectors. The dynamical equations of master-slave manipulators with synchronization controller are derived, and the Lyapunov stability theory is used to determine the stability of this controlled synchronization system. In numer- ical experiments, the synchronous motions of end-effectors as well as three joint angles and torques of master-slave manipulators are studied under the control of the proposed synchronization strategy. It is found that the positive gain matrix affects the implementation of synchronization con- trol strategy. This synchronization control strategy proves the synchronization's feasibility and controllability for com- plicated motions generated by master-slave manipulators.
基金supported by the National Natural Science Foundation of China (11072122)
文摘This paper investigates the motion planning of redundant free-floating manipulators with seven prismatic joints. On the earth, prismatic-jointed manipulators could only position their end-effectors in a desired way. However, in space, the end-effectors of free-floating manipulators can achieve both the desired orientation and desired position due to the dynamical coupling between manipulator and satellite movement, which is formally expressed by linear and angular momentum conservation laws. In this study, a tractable algorithm particle swarm optimization combined with differential evolution (PSODE) is provided to deal with the motion planning of redundant free-floating prismatic-jointed manipulators, which could avoid the pseudo inverse of the Jacobian matrix. The polynomial functions, as argument in sine functions are used to specify the joint paths. The co- efficients of the polynomials are optimized to achieve the desired end-effector orientation and position, and simulta- neously minimize the unit-mass-kinetic energy using the redundancy. Relevant simulations prove that this method pro- vides satisfactory smooth paths for redundant free-floating prismatic-jointed manipulators. This study could help to recognize the advantages of redundant prismatic-jointed space manipulators.
基金supported by the National Natural Science Foundation of China (No. 20971080)the Natural Science Foundation of Shandong Province (No. ZR2009BM026 and ZR2009BL002)
文摘A new mono-nuclear CuII complex [Cu(DPP)(DP)Br](ClO4)H2O (DPP = 2-(3,5- dimethyl-1H-pyrazol-1-yl)-1,10-phenanthroline, DP = 3,5-dimethyl-1H-pyrazole) has been syn- thesized with 2-(3,5-dimethyl-1H-pyrazol-1-yl)-1,10-phenanthroline and 3,5-dimethyl-1H-pyrazole as ligands, and its crystal structure was determined by X-ray crystallography. The crystal is of monoclinic system, space group P21/c with a = 13.765(2), b = 17.044(3), c = 10.9044(16), β= 97.112(2)°, V = 2538.5(6)3, Z = 4, C22H24BrClCuN6O5, Mr = 631.37, Dc = 1.652 g/cm3, F(000) = 1276 and μ= 2.585 mm-1. In the crystal, DPP functions as a tridentate ligand and CuII ions assume a distorted square pyramidal geometry with Br atom lying on the apex, and at the same time, there is π-π stacking between adjacent complexes, which deals with two 1,10-phenanthroline plane rings. In addition to the π-π stacking, there are C-H···Br non-classic hydrogen bonds between adjacent complexes. The theoretical calculations reveal that the π-π stacking and C-H···Br non-classic hydrogen bond result in a weak anti-ferromagnetic interaction with 2J = -5.34 cm-1 and a weak ferromagnetic 2J = 5.92 cm-1, respectively. The magnetic coupling sign from the π-π stacking could be explained with McConnell I spin-polarization mechanism.
基金supported by NNSFC (20701037)a Key Project from the CAS (KJCX2-YW-H01)the NSF of Fujian Province (E0510029)
文摘The reaction of 6,7-dicyanodipyridoquinoxaline (DICNQ) with AgNO3 in a 1:1 molar ratio by solution method gave a new complex [Ag(DICNQ)2]NO3 1. Single-crystal X-ray diffraction analysis reveals that the complex crystallizes in the space group Ibca of orthorhombic system with eight formula units in a cell. Crystal data for 1: a = 15.7055(17), b = 18.411(2), c = 20.680(2)A, V = 5979.7(11)A3, Z = 8, C32Hl2AgN13O3, Mr = 734.42, Dc = 1.632 g/cm3, μ= 0.734 mm-1, F(000) = 2928, S = 1.023 and T= 293(2) K. The final R = 0.0659 and wR = 0.1927 for 2118 observed reflections with I 〉 2σ(I), and R = 0.0801 and wR = 0.2196 for all data. The complex builds up a packing structure by π-π stacking interactions and shows a luminescent feature.
基金Supported by the National Natural Science Foundation of China(Nos.21361023 and 21461023)
文摘A new coordination polymer, {[Cd(OPY)(tdc)(HO)]·H2 O}n(OPY = 4,4?-(oxybis(4,1-phenylene))dipyridine, H2 tdc = thiophene-2,5-dicarboxylic acid), has been synthesized hydrothermally based on a V-shaped ligand OPY. The structure was fully characterized by elemental analysis, FT-IR spectroscopy, and X-ray single-crystal diffraction analysis. In1, two OPY ligands and one water molecule acted as terminal ligands coordinating to Cdcation to form [Cd(OPY)HO]units, which are then linked by tdc2-ligands to generate a one-dimensional chain. Every two adjacent chains linked by extensive O–H···O hydrogen bonds constitute one-dimensional double-chains, and such chains are extended into two-dimensional layers via O–H···N hydrogen bonds. These layers are further connected to form a three-dimensional supramolecular architecture via π-π stacking interactions. In addition, the thermal stability and solid state fluorescence property of 1 were also investigated.
基金the National Natural Science Foundation of China(Nos.20371007 and 20476011)
文摘A novel three-dimensional(3D) supramolecular architecture, {[Nd(OH-BDC)(OH-HBDC)(H2O)2]·2HaO)n(1) (OH-H2BDC=5-hydroxyisophthalic acid), which was formed through hydrogen bonds and π-π stacking between two-dimensional(2D) layers, was hydrothermally synthesized and characterized by single-crystal X-ray diffraction. Windmill building blocks, which consist of two nine-coordinated metal centers and four OH-H2BDC groups are connected through two carboxyl groups, to lead to a one-dimensional infinite inorganic chain(… M--O--C--O--M…) along the [100] direction. An observed intense blue luminescence with an emission band peaked at 390 nm for compound 1 may results from ligand-to-metal charge transfer(LMCT). Variable-temperature magnetic susceptibility of compound 1 was investigated and the value was deviated from the Curie-Weiss law.
基金support from the National Key R&D Program of China(grant number 2018YFA0702400)the Major Scientific and Technological Projects of CNPC(grant number ZD2019-183-007)the China Postdoctoral Science Foundation(grant number 2021M702041)。
文摘Unconsolidated sandstone reservoirs are most susceptible to sand production that leads to a dramatic oil production decline.In this study,the poly(4-vinyl pyridine)(P_(4)VP)incorporated with self-aggregating behavior was proposed for sand migration control.The P_(4)VP could aggregate sand grains spontaneously throughπ-πstacking interactions to withstand the drag forces sufficiently.The influential factors on the self-aggregating behavior of the P_(4)VP were evaluated by adhesion force test.The adsorption as well as desorption behavior of P_(4)VP on sand grains was characterized by scanning electron microscopy and adhesion force test at different pH conditions.The result indicated that the pH altered the forms of surface silanol groups on sand grains,which in turn affected the adsorption process of P_(4)VP.The spontaneous dimerization of P_(4)VP molecules resulting from theπ-πstacking interaction was demonstrated by reduced density gradient analysis,which contributed to the self-aggregating behavior and the thermally reversible characteristic of the P_(4)VP.Dynamic sand stabilization test revealed that the P_(4)VP showed wide pH and temperature ranges of application.The production of sands can be mitigated effectively at 20-130℃ within the pH range of 4-8.
基金supported by the National Natural Science Foundation of China (No. 20971080)the Natural Science Foundation of Shandong Province (No. ZR2009BM026)
文摘A new mono-nuclear Mn(Ⅱ) complex [Mn(MPT)2(NCS)(HOCH3)]ClO4(MPT = 2-methoxyl-1,10-phenanthroline) has been synthesized with 2-methoxyl-1,10-phenanthroline and thiocyanate anion as ligands,and its crystal structure was determined by X-ray crystallography.The crystal data:monoclinic system,space group P21/c with a = 12.8849(17),b = 15.684(2),c = 14.2703(19) ,β = 92.126(2)°,V = 2881.9(7) 3,Z = 4,C28H24ClMnN5O7S,Mr = 664.97,Dc = 1.533 g/cm3,F(000) = 1364 and μ = 0.679 mm-1.In the crystal,MPT functions as a bidentate ligand and Mn(Ⅱ) ion assumes a distorted octahedral geometry.In the crystal there are two types of π-π stacking interactions among the adjacent complexes,which involves 1,10-phenanthroline rings.The theoretical calculations reveal that the two types of π-π stacking resulted in a weak anti-ferromagnetic coupling with 2J =-14.68 cm-1 and a weak ferromagnetic coupling with 2J = 0.70 cm-1,respectively.The theoretical calculations also reveal that there are both spin polarization and spin delocalization in the two π-π stacking systems,and the magnetic coupling signs are unable to explain with McConnell I spin-polarization mechanism.
基金supported by the National Key R&D Program of China(2018YFB1500103)the National Natural Science Foundation of China(62104082)+1 种基金the Guangdong Basic and Applied Basic Research Foundation(2022A1515010746,2022A1515011228)the Science and Technology Program of Guangzhou(202201010458)。
文摘Room temperature sputtered inorganic nickel oxide(NiO_(x))is one of the most promising hole transport layers(HTL)for perovskite-sillion 2-terminal tandem solar cells with the aid of ultrathin and compact organic layers to passivate the surface defects.In this study,the aromatic solvent with different substituent groups was used to regulate the conformation of poly[bis(4-phenyl)(2,4,6-trimethylphenyl)am ine](PTAA)layer.As a result,the single-junction perovskite solar cell(PSC)gained a power conversion efficiency(PCE)of 20.63%,contributing to a 27.21%efficiency for monolithic perovskite/silicon(double-side polished)2-terminal tandem solar cell,by applying the alkyl aromatic solvent to enhance theπ-πstacking of PTAA molecular chains.The tandem solar cell can maintain 95%initial efficiency after aging over 1000 h.This study provides a universal approach for improving the photovoltaic performance of NiO_(x)/polymer-based perovskite/silicon tandem solar cells and other single junction inverted PSCs.
文摘Non covalent interactions are quite common in all kinds of π-systems, such as π-π interactions, long range/short range van der waal force of interactions, ion-π interactions etc. Ab initio calculations are well established and account well for the experimental long range interaction energies for small clusters of aromatic molecules and most of the calculations were carried out using the MPn methods. If a reasonably large basis set is used to calculate the stacking interaction energies for a cluster (dimer, trimer etc.) of aromatic molecules then the electron-electron correlation energy may be properly calculated. Moreover, ab initio calculations for aromatic π-systems show that the calculated stacking interaction energies highly depend on the basis set used and the electron correlation energy. In this investigation, the electron correlation of the stacked hydrated phenol systems has been accounted at MP2 level of calculations. We have calculated the π-π stacking interaction energies of the hydrated phenolic systems with different conformations.
文摘Aromatic systems like phenol, diphenol, cyano benzene, chloro benzene, aniline etc shows effective π-π stacking interactions, long range van der Waals forces;ion-π interactions etc. and these forces of interactions play an crucial role in the stability of stacked π-dimeric system. On the other hand, substituents and conformational change in the stacked dimmers of aromatic system may also change the stability of different stacked dimers. In this current study, stacked phenolic dimmers (both phenol and diphenol) have been taken for investigation of the stacking π-π interaction. But, the stacking interactions are also greatly affected by the conformational change with internal rotation (i.e. dihedral angle, φ) between the stacked dimers. It is generally accepted that larger basis sets are required for the highly accurate calculation of interaction energies for any stacked aromatic models. But, it has recently been reported that M062X/6-311++G(d,p) basis set is effectively better than that of B3LYP/6-311++G(d,p) for determining the interaction energies for any kind of long range interaction in aromatic systems. Therefore, all the calculations were carried out by using M062X/6-311++G(d,p) basis set. However, in most of the cases the calculated π-π stacking interaction energies show almost same result for both DFT and ab initio methods.
基金the financial support from the National Natural Science Foundation of China (Grant No.51972278)the Open Project of the State Key Laboratory of Environment-friendly Energy Materials (Southwest University of Science and Technology,Grant No.20fksy16)。
文摘The interfacial interaction between HMX molecules and coating materials is the key to the safety performance of explosives and has received extensive attention.However,screening suitable coating agents to enhance the interfacial effect to obtain high-energy and low-sensitivity explosives has long been a major challenge.In this work,HMX-PEI/rGO/g-C_(3)N_(4)(HPrGC)composites were innovatively prepared by a multi-level coating strategy of two-dimensional graphite rGO and g-C_(3)N_(4).The g-C_(3)N_(4) used for desensitization has a richπ-conjugated system and shows outstanding ability in reducing friction sensitivity.The hierarchical structure of HPrGC formed by electrostatic self-assembly andπ-πstacking can effectively dissipate energy accumulation under heat and mechanical stimulation through structural evolution,thus exhibiting a prominent synergistic desensitization effect on HMX.The results show that rGO/gC_(3)N_(4) coating has no effect on the crystal structure and chemical structure of HMX.More importantly,the perfect combination of g-C_(3)N_(4) and rGO endows HPrGC with enhanced thermal stability and ideal mechanical sensitivity(IS:21 J,FS:216 N).Obviously,the new fabrication of HPrGC enriches the variety of desensitizer materials and helps to deepen the understanding of the interaction between explosives and coatings.
基金the National Natural Science Foundation of China(No.21972052).
文摘As an emerging organic semiconductor,perylene diimide(PDI)self-assembly has attracted tremendous attention in the aspects of solar cells,sensors,fluorescence probes and n-transistors,etc.In term of photocatalysis,various photocatalysts based on PDI self-assembly exhibit some unique properties,such as intrinsicΠ-Πstacking structure,fast internal charge transfer,band-like electronic structure,flexible structural modifiability,well-defined morphological adjustability and excellent light absorption.This paper mainly presents recent progress on PDI self-assembly regarding how to regulate the electronic structure of PDI self-assembly.In addition,the photocatalytic applications of PDI self-assembly and its complexes were reviewed,such as environmental remedy,energy productions,organic synthesis and photodynamic/photothermal therapy,further highlighting related photocatalytic mechanisms.Finally,the review contents and some perspectives on photocatalytic research of PDI selfassembly were summarized,and some key scientific problems were put forward to direct related photocatalytic research in future.
基金funded by the following grants:the Forestry Public Welfare Project(201304208)the‘‘948’’Project sponsored by the State Forestry Administration(SFA)of China(2014-4-25)+4 种基金the National Natural Science Foundation of China(31270587,31100414)the PAPD(Priority Academic Program Development)of Jiangsu provincial universitiesperformed while the lead author held a scholarship sponsored the CSC(China Scholarship Council)(201208320553)at the department of Geographical Sciences,University of Marylandawardee of the 2012 Youth Backbone Teachers Support Plan of Jiangsu Provincethe 2012 Youth Talents Support Plan of Nanjing Forestry University
文摘Forest losses or gains have long been recognized as critical processes modulating the carbon flux between the biosphere and the atmosphere. Timely, accurate and spatially explicit information on forest disturbance and recovery history is required for assessing the effectiveness of existing forest management. The major objectives of our research focused on testing the mapping efficacy of the vegetation change tracker (VCT) model over a forested area in China. We used a new version of VCT algorithm built upon the Landsat time series stacks (LTSS). The LTSS consisted of yearly image acquisitions to map forest disturbance history from 1987 to 2011 over the Ning-Zhen Mountains, Jiangsu Province of east China. The LTSS consisted of TM and ETM+ scenes with different projec- tions due to distinct data sources (Beijing remote sensing ground station and the USGS EROS Center). The valida- tion results of the disturbance year maps showed that most spatial agreement measures ranged from 70 to 86 %, comparable with the VCT accuracies reported for many places in USA. Very low accuracies were identified in 1995 (38.3 %) and 1992 (56.2 %) in the current analysis. These resulted from the insensitivity of the VCT algorithm to detect low intensity disturbances and also from the mis- registration errors of the image pairs. Major forest distur- bance types existing in our study area were identified as agricultural expansion (39.8 %), urbanization (24.9 %), forest management practice (19.3 %), and mining (12.8 %). In general, there was a gradual decreasing trend in forest cover throughout this region, caused principally by China's economic, demographic, environmental and political policies and decisions, as well as some weather events. While VCT has largely been used to assess long term changes and trends in the USA, it has great potential for assessing landscape level change elsewhere throughout the world.
基金This work was supported by the NSF for Distinguished Young Scientist of China (20425104) and the NSF of Fujian Province (A0420002, 2005I017)
文摘A new Cu(Ⅱ) complex [Cu(4-cba)(1,10-phen)(H2O)2](NO3) (4-Hcba = 4-cyanobenzoic acid) has been synthesized by solvothermal reaction in an ethanol/water mixed solution at 100 ℃ and structurally characterized by single-crystal X-ray diffraction. Crystallographic data: C20H16CuN4O7, Mr= 487.91, triclinic, space group PI, a = 7.8420(2), b = 9.1070(2), c = 15.1140(6) A, a = 76.889(9), β = 81.332(11), γ = 74.844( 11)°, V = 1009.89(5) A^3, Z = 2, Dc = 1.605 g/cm^3, F(000) = 498, μ = 1.134 mm^-1, the final R = 0.0379 and wR = 0.0865 for 2977 observed reflections with 1 〉 2σ(Ⅰ). The Cu(Ⅱ) atom is coordinated by two terminal water molecules, one chelating 1,10-phen molecule and one monodentate 4-cba ligand to form a slightly distorted square pyramid. The title complex molecules are connected through hydrogen bonds and π-π stacking interactions to generate a 2D layered network. The thermogravimetric analysis of the title complex has also been discussed.
基金Supported by the Institute Foundation of Siping City(No.2013036)
文摘A new Zn(II) complex, [Zn(L)(IPP)(H2O)]'2H2O(1, H2L = 3-carboxy-l-car- boxymethyl-2-oxidopyridinium and IPP = 2-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)phenol), was synthesized under hydrothermal conditions and its structure was determined by single-crystal X-ray diffraction. It crystallizes in triclinic, space group Pi with a = 8.5023(17), b = 9.945(2), c = 15.573(3) A, a = 95.87(3), β = 102.56(3), y = 100.73(3)°, V= 1248.7(4) A3, Z= 2, C27H22N5O9Zn, Mr= 625.87, Dc = 1.665 g/cm^3, F(000) = 642, μ(MoKa) = 1.053 mm^-1, R = 0.0474 and wR = 0.1352. In 1, one L2-, one 1PP and one water molecule coordinate to the same Zn(II) atom to give a discrete complex with two lattice water molecules. Adjacent [Zn(L)(IPP)(H20)].2H20 molecules interact through π-π stacking between two IPP ligands to form a supramolecular chain. The N-H…O and O-H…N hydrogen bonds further stabilize the supramolecular chain structure of 1. The solid state luminescent property of 1 was also studied.
基金supported by the National Natural Science Foundation of China (No. 50971063)the Natural Science Foundation of Fujian Province (2003F006)the Scientific Research Foundation for the Returned Overseas Chinese Scholars, State Education Ministry of China
文摘The polymeric solid, [Cu(bpy)(tp)(H2O)]n 1 (tp = terephthalate, bpy = 2,2'-bipyridine), has been obtained from the hydrothermal approach and characterized by X-ray diffraction, elemental analysis, IR spectra and thermogravimetric analysis. Compound 1 crystallizes in triclinic, space group P1 with a = 9.360(2), b = 9.872(2), c = 10.774(2)A, α = 106.281(5), β = 112.471(5), γ = 96.697(3)°, V = 854.5(3)A^3, Z = 2, GOF = 1.09, R = 0.0318 and wR = 0.0845. X-ray single-crystal analysis reveals that 1 is an interesting 3D staggered brickwall-like supramolecular array assembled through aromatic π-π stacking and hydrogen bonding interactions of 1D infinite zigzag polymeric chains.
基金supported by the National Natural Science Foundation of China (No. 20472076, 20572061, 20732004)Henan Academic Foundation of Science and Technology (No. 0512001400)
文摘5,7-Dimethoxy-2-phenylquinolin-4-yl phenyloxy (N-L-alanine ethyl ester) phosphoramidate (C28H29N2O7P, Mr = 536.17) has been synthesized by a facial phosphorylated reaction, and its structure was determined by IR, NMR, HR MS and X-ray single-crystal diffraction. The crystal belongs to triclinic, space group P1^-, with a = 11.375(2), b = 11.591(2), c = 11.638(2) A^°, α= 109.46(3), β= 104.58(3), γ= 100.48(3)°, V = 1339.6(5)A^°^3, Z = 2, Dc = 1.330 g/cm^3,μ = 0.152 mm^-1, F(000) = 564, the final R = 0.0654 and wR = 0.1546. In the crystal structure, the title compound is constructed by a centrosymmetric dimmer unit composed of a pair of π-π stacking diastereoisomers. The compound has a noteworthy feature in the framework, and such units are linked by two equal intermolecular P=O…H-N hydrogen bonds.