In the paper,the structures of the crystalline 3,4-polyisoprene(3,4-PI) which was first synthesized in our institute,were investigated by using Wide Angle X-ray Diffraction(WAXD);Small Angle X-ray Scattering(SAXS)and ...In the paper,the structures of the crystalline 3,4-polyisoprene(3,4-PI) which was first synthesized in our institute,were investigated by using Wide Angle X-ray Diffraction(WAXD);Small Angle X-ray Scattering(SAXS)and Laue photography in various polymerization conditions and elongate ratios.It was found that reducing reaction velocity was favourable for crystalline capacity.The polymeric structures were dependent mainly on nitrogen electron donor.The degree of crystallinity and long period were increased with elongate ratio,but crystalline size was decreased.The polymers used in the work belong to inhomogeneous particulate system.The particulate radii were between 35-164A.展开更多
A polysaccharide,PS(1),has been isolated from the pollen of papaver somniferum.PS(1)is a highly branched arabinogalactan,which,mainly contains α—L—arabinofuranosyl(1→)and(3,6→1)— β—D—galactopyranosyl residues...A polysaccharide,PS(1),has been isolated from the pollen of papaver somniferum.PS(1)is a highly branched arabinogalactan,which,mainly contains α—L—arabinofuranosyl(1→)and(3,6→1)— β—D—galactopyranosyl residues.We also studied the circular dichroism and immunoactivity of PS(1).展开更多
The title complex was synthesized and its structure was determined. The crystal is mon- oclinic with space group P2_1/n. Unit cell parameters are as follows: a=16.474(8), b=12.425(4), c=20.844(12), β=109.27(4)°,...The title complex was synthesized and its structure was determined. The crystal is mon- oclinic with space group P2_1/n. Unit cell parameters are as follows: a=16.474(8), b=12.425(4), c=20.844(12), β=109.27(4)°, Z=4. In each dimer, the two Nd atoms are connected through two pairs of bridging neopentanoate anions. The two carboxyl groups in each pair are in opposite position to Nd atom which are coplanar with them and the two planes are perpendicular with each other. In the complex each Nd atom is further coordinated with three neopentanoic acid molecules and one monodentate neopentanoate anion. The central atom is octa-coordinated in a square- antiprism arrangement.展开更多
A mixed ligand neodymium complex containing 1-phenyl-3-methyl-4-trifluoroacetyl- pyrazol-5-one(HPMTFP)and 1-phenyl-3-methyl-pyrazol-5-one(PMP),with molecular formula Nd(PMTFP)_3·PMP·H_2O was synthesized.Its ...A mixed ligand neodymium complex containing 1-phenyl-3-methyl-4-trifluoroacetyl- pyrazol-5-one(HPMTFP)and 1-phenyl-3-methyl-pyrazol-5-one(PMP),with molecular formula Nd(PMTFP)_3·PMP·H_2O was synthesized.Its crystal and molecular structure has been determined by single crystal X-ray diffraction method.The complex crystallizes in monoclinic system with space group C_2~5h-P2_(1/n).There are four formula units in a cell of dimensions a=12.837(3),b=23.763(5),c=16.810(4) ,β=109.58(2)°.The structure has been refined by full-matrix least-squares techniques to a final R value of 0.0487 and Rw value of 0.432.The neodymium atom is coordinated to eight oxygen atoms with the average Nd-O bond length 2.439,Its thermostability,and mass spectrum have been discussed.展开更多
In order to provide scientific information on the prevention and treatment of silicosis,studies about changes of silicotic collagen in lungs were carried out. In this paper, we present experiments about the structural...In order to provide scientific information on the prevention and treatment of silicosis,studies about changes of silicotic collagen in lungs were carried out. In this paper, we present experiments about the structural changes of collagen in silicotic lungs of rats and patients. These included electron microscopy, circular dichroism and infrared spectroscopy studies of collagen fibers. The results indicated that fibers of silicotic collagen were shorter in length, smaller in diameter and decreased in α-helix content. The -Si-O-R- group and -OH group were found increased and -C-C- backbone shortened. The increase of -Si-O-R-group indicated that silica formed linking bridges between collagens which may be the cause of progressive enlargement of nodules展开更多
During the underground mining of coal resources,overlying rocks on the roof of excavated tunnels will be destroyed due to ground pressure,and as a result,part of them will break and fall into the tunnels.How to determ...During the underground mining of coal resources,overlying rocks on the roof of excavated tunnels will be destroyed due to ground pressure,and as a result,part of them will break and fall into the tunnels.How to determine the distribution of fractured areas and fissures presents a major problem for preserving the overlying aquifer.展开更多
In the present study, bond-coats for thermal barrier coatings were deposited via air plasma spraying(APS) techniques onto Inconel 800 and Hastelloy C-276 alloy substrates. Scanning electron microscopy(SEM), transm...In the present study, bond-coats for thermal barrier coatings were deposited via air plasma spraying(APS) techniques onto Inconel 800 and Hastelloy C-276 alloy substrates. Scanning electron microscopy(SEM), transmission electron microscopy(TEM), X-ray diffraction(XRD), and atomic force microscopy(AFM) were used to investigate the phases and microstructure of the as-sprayed, APS-deposited Co Ni Cr Al Y bond-coatings. The aim of this work was to study the suitability of the bond-coat materials for high temperature applications. Confirmation of nanoscale grains of the γ/γ′-phase was obtained by TEM, high-resolution TEM, and AFM. We concluded that these changes result from the plastic deformation of the bond-coat during the deposition, resulting in Co Ni Cr Al Y bond-coatings with excellent thermal cyclic resistance suitable for use in high-temperature applications. Cyclic oxidative stability was observed to also depend on the underlying metallic alloy substrate.展开更多
To make inorganic structure data more useful for further studies a five-point list of simple procedures to be followed by authors of crystal structure papers is proposed. 1. A crystal structure should be described wit...To make inorganic structure data more useful for further studies a five-point list of simple procedures to be followed by authors of crystal structure papers is proposed. 1. A crystal structure should be described with the space group corresponding to its true symmetry. 2. A new structure proposal should be tested, if it is realistic in principle. 3. A structure should be described with a space group in a setting given in the International Tables. 4. For a comparison with other structures the structure data should be standardized with the program STRUCTURE TIDY. 5. 揘ew?structure data should be checked in the databases, Chemical Abstracts or on-line internet resources, if they are really new. The list is supplemented with many explanations, commentaries, examples and references.展开更多
Rhodamine B-ethylenediamine-beta-cyclodextrins (RhB-beta-CDen) and rhodamine B-beta-cyclodextrins (RhB-beta-CD) form inclusion complexes with many guest molecules, which can be used as nucleic acid probe. In this pape...Rhodamine B-ethylenediamine-beta-cyclodextrins (RhB-beta-CDen) and rhodamine B-beta-cyclodextrins (RhB-beta-CD) form inclusion complexes with many guest molecules, which can be used as nucleic acid probe. In this paper we determined the most stable conformations of RhB-beta-CDen and RhB-beta-CD by molecular mechanics and dynamics simulation. The interaction between RhB-beta-CDen and two guest molecules, 1-borneol and cyclohexanol, have been investigated both theoretically and experimentally. The results show that the interaction between borneol and RhB-beta-CDen is stronger than that between cyclohexanol and RhB-beta-CDen.展开更多
X-ray diffraction line profiles of low density polyethylene(LDPE)/ (ethylene-propylene-octene-1)copolymer(EPO)blends have been analyzed with variance range function method.Theories for determining the microparacrystal...X-ray diffraction line profiles of low density polyethylene(LDPE)/ (ethylene-propylene-octene-1)copolymer(EPO)blends have been analyzed with variance range function method.Theories for determining the microparacrystallite size and the distortion parameter from single reflection have been described,and the value of these two parameters at (110)and(200)directions have been determined.展开更多
A nanostructured Hf11Ni89 ribbon sample was prepared by melt-spinning. It was found that the as-quenched sample is composed of a major HfNi5 compound nanophase and an interfacial magnetic Ni(Hf) solid solution phase. ...A nanostructured Hf11Ni89 ribbon sample was prepared by melt-spinning. It was found that the as-quenched sample is composed of a major HfNi5 compound nanophase and an interfacial magnetic Ni(Hf) solid solution phase. The structure evolution of the sample was studied by using X-ray difFraction (XRD), transmission electron microscopy (TEM), difFerential scanning calorimetry (DSC), resistivity and magnetothermal analysis. Upon heating, a second precipitation process of the Ni(Hf) phase prior to grain growth wa5 detected by means of both structural analysis and physical property measurements. The measurement results are discussed based on the relationship between microstructure and physical properties.展开更多
The canonical and locatized molecutar orbiters of [NCCuS_2NoS_2]^(2-) cluster were calculated by means of CNDO quantum chemistry method. Then the energy and properties of corresponding chemicat bonds were discussed, e...The canonical and locatized molecutar orbiters of [NCCuS_2NoS_2]^(2-) cluster were calculated by means of CNDO quantum chemistry method. Then the energy and properties of corresponding chemicat bonds were discussed, especially, Cu-Sb-No three center conjugated π bonds and No-St-No conjugated π bonds were accounted for.展开更多
Nanometer-sized metal clusters were prepared inside single crystalline MgO films by vacuum co-deposition of metals and MgO. The atomic structure was studied by high-resolution electron microscopy (HREM) and nm-area el...Nanometer-sized metal clusters were prepared inside single crystalline MgO films by vacuum co-deposition of metals and MgO. The atomic structure was studied by high-resolution electron microscopy (HREM) and nm-area electron diffraction. The size of the clusters is ranging from 1 nm to 3 nm without those larger than 5 nm, and most of them have definite epitaxial orientations with the MgO matrix films. The character of the composite films is very much useful for the studies of various kinds of physical properties with anisotroPy. The physical properties such as electric transport, magnetic, optical absorption, sintering and catalytic ones were thus measured on the same samples analyzed by HREM by using high sensitivity apparatus with interest of clarifying the retationship between the atomic structure and physical properties展开更多
The struetural effect of the conjugative system(C)with carbonyl-imino bridges has been studied.The results show that:In the conjugated system(C),there is no electronic absorption peak attributable to the whole system,...The struetural effect of the conjugative system(C)with carbonyl-imino bridges has been studied.The results show that:In the conjugated system(C),there is no electronic absorption peak attributable to the whole system,but there are three π-π* bands each nt which displays chacactecistics of its own independently.These indicate that the two bridges-carbonyl-and-imino-can block the tlanSmlSSion of the conjngative polarization of the whole system,so as to form three segments,this is verified by means of chemical synthesis and degradation.展开更多
Electrolyte electroreflectance (EER) has been widely employed to investigate the electronic energy band structure and related physical properties of semiconductors. The electrolyte electroreflectance (EER) method comb...Electrolyte electroreflectance (EER) has been widely employed to investigate the electronic energy band structure and related physical properties of semiconductors. The electrolyte electroreflectance (EER) method combined with electrochemical anodic dissolution was used to study GaAs/GaAlAs multilayer structural materials. According to variation of the EER spectra during anodic dissolution the characteristics of GaAs/GaAlAs multilayer structural materials such as properties of the interface, p-n junction positions and Al content profiles were obtained.展开更多
A novel chiral copper(Ⅱ) complex with racemic 1,2-diaminocyclohexane and iodide,[Cu(Ⅱ)(1,2-diaminocyclohexane)_3](I)_2·3H_2O(1) has been synthesized and structurally characterized by X-ray single-crys...A novel chiral copper(Ⅱ) complex with racemic 1,2-diaminocyclohexane and iodide,[Cu(Ⅱ)(1,2-diaminocyclohexane)_3](I)_2·3H_2O(1) has been synthesized and structurally characterized by X-ray single-crystal diffraction,elemental analysis,infrared spectroscopy,Raman spectroscopy and thermogravimetric analysis. In complex 1,the CuⅡ ion was coordinated by six nitrogen atoms of three 1,2-diaminocyclohexane molecules. The structure of complex 1 can be described as a supramolecular 3D-like structure which was formed by intermolecular hydrogen-bonding interactions between mononuclear molecules,uncoordinated water molecules and two iodide anions. UV-vis absorption spectrum and surface photovoltage properties of complex 1 have also been studied.展开更多
The electronic structure and chemical bonding of the title comp- lexes have been studied by an unrestricted INDO program made applicable for the lanthanoid compounds.The results indicated:(1)In coordinated bonds O-Ln ...The electronic structure and chemical bonding of the title comp- lexes have been studied by an unrestricted INDO program made applicable for the lanthanoid compounds.The results indicated:(1)In coordinated bonds O-Ln and N-Ln,5d orbitals of Ln have large contribution in all valence orbitals of Ln and 4f orbitals have very small contribution.(2)The covalent chara- cter and ionic character are almost equal in the chemical bond which is comparatively weak between phen,C_2H_5OH and Ln are mainly ionic with some covalent character.展开更多
We describe high-level ab initio calculations on the BH_2, HBF, HBCl and HBBr radicals. Molecular structure,vibrational frequencies and potential energy curves of the ground state and the first excited state, which ar...We describe high-level ab initio calculations on the BH_2, HBF, HBCl and HBBr radicals. Molecular structure,vibrational frequencies and potential energy curves of the ground state and the first excited state, which are two Renner-Teller components for a^2Π state at linearity, are studied using the basis sets aug-cc-pVTZ and icMRCI+Q technique. On the basis of the potential energy curves, a reliable potential energy barrier to dissociation HB+X(X=F, Cl, Br) fragments and to linearity are given. The ab initio results will add some understanding on the spectrum and the photo-dissociation dynamics of the series of radicals.展开更多
A method for the analysis of the relationship between the helical structure and optical activity was proposed by the study of the conformations and X-ray diffraction structures of some cyclic esters prepared by esteri...A method for the analysis of the relationship between the helical structure and optical activity was proposed by the study of the conformations and X-ray diffraction structures of some cyclic esters prepared by esterification of L-(-)-2.3-O-methylidene threitol and L-(+)-2,3-O-isopropplidene threitol with alkanedioyl dichlorides and o-,m-,and p-phthaloyl dichlorides.展开更多
The mechanical properties of several kinds of coal gangue calcined with limestone were Researched so as to find the optimum way of calcinations with limestone. Microstructure and property of hydration process of cemen...The mechanical properties of several kinds of coal gangue calcined with limestone were Researched so as to find the optimum way of calcinations with limestone. Microstructure and property of hydration process of cement pastes containing added-calcium coal gangue were analyzed by means of scanning electron microscope (SEM) and method of mercury in trusion poremeasurement (MIP), etc. The experiment can approve those results: when proper amounst of gypsum and fluorite were taken as mineralizers in the course of calcinations of added-calcium coal gangue, activity of coal gangue can be effectively improved. The results of mechanical property and structural characteristic such as hydration process, hydration product and microstructure etc. of cement pastes containing added-calcium coal gangue are consistent.展开更多
文摘In the paper,the structures of the crystalline 3,4-polyisoprene(3,4-PI) which was first synthesized in our institute,were investigated by using Wide Angle X-ray Diffraction(WAXD);Small Angle X-ray Scattering(SAXS)and Laue photography in various polymerization conditions and elongate ratios.It was found that reducing reaction velocity was favourable for crystalline capacity.The polymeric structures were dependent mainly on nitrogen electron donor.The degree of crystallinity and long period were increased with elongate ratio,but crystalline size was decreased.The polymers used in the work belong to inhomogeneous particulate system.The particulate radii were between 35-164A.
文摘A polysaccharide,PS(1),has been isolated from the pollen of papaver somniferum.PS(1)is a highly branched arabinogalactan,which,mainly contains α—L—arabinofuranosyl(1→)and(3,6→1)— β—D—galactopyranosyl residues.We also studied the circular dichroism and immunoactivity of PS(1).
基金This project was supported by the National Natural Science Foundation of China
文摘The title complex was synthesized and its structure was determined. The crystal is mon- oclinic with space group P2_1/n. Unit cell parameters are as follows: a=16.474(8), b=12.425(4), c=20.844(12), β=109.27(4)°, Z=4. In each dimer, the two Nd atoms are connected through two pairs of bridging neopentanoate anions. The two carboxyl groups in each pair are in opposite position to Nd atom which are coplanar with them and the two planes are perpendicular with each other. In the complex each Nd atom is further coordinated with three neopentanoic acid molecules and one monodentate neopentanoate anion. The central atom is octa-coordinated in a square- antiprism arrangement.
基金This project was supported by The National Natural Science Foundation of China.
文摘A mixed ligand neodymium complex containing 1-phenyl-3-methyl-4-trifluoroacetyl- pyrazol-5-one(HPMTFP)and 1-phenyl-3-methyl-pyrazol-5-one(PMP),with molecular formula Nd(PMTFP)_3·PMP·H_2O was synthesized.Its crystal and molecular structure has been determined by single crystal X-ray diffraction method.The complex crystallizes in monoclinic system with space group C_2~5h-P2_(1/n).There are four formula units in a cell of dimensions a=12.837(3),b=23.763(5),c=16.810(4) ,β=109.58(2)°.The structure has been refined by full-matrix least-squares techniques to a final R value of 0.0487 and Rw value of 0.432.The neodymium atom is coordinated to eight oxygen atoms with the average Nd-O bond length 2.439,Its thermostability,and mass spectrum have been discussed.
文摘In order to provide scientific information on the prevention and treatment of silicosis,studies about changes of silicotic collagen in lungs were carried out. In this paper, we present experiments about the structural changes of collagen in silicotic lungs of rats and patients. These included electron microscopy, circular dichroism and infrared spectroscopy studies of collagen fibers. The results indicated that fibers of silicotic collagen were shorter in length, smaller in diameter and decreased in α-helix content. The -Si-O-R- group and -OH group were found increased and -C-C- backbone shortened. The increase of -Si-O-R-group indicated that silica formed linking bridges between collagens which may be the cause of progressive enlargement of nodules
基金supported by the State Key Program of National Natural Science of China(Grant No.41130637)
文摘During the underground mining of coal resources,overlying rocks on the roof of excavated tunnels will be destroyed due to ground pressure,and as a result,part of them will break and fall into the tunnels.How to determine the distribution of fractured areas and fissures presents a major problem for preserving the overlying aquifer.
基金provided by Technical Education Quality Improvement Programme-Ⅱ(TEQIP-Ⅱ)at MNNIT Allahabad
文摘In the present study, bond-coats for thermal barrier coatings were deposited via air plasma spraying(APS) techniques onto Inconel 800 and Hastelloy C-276 alloy substrates. Scanning electron microscopy(SEM), transmission electron microscopy(TEM), X-ray diffraction(XRD), and atomic force microscopy(AFM) were used to investigate the phases and microstructure of the as-sprayed, APS-deposited Co Ni Cr Al Y bond-coatings. The aim of this work was to study the suitability of the bond-coat materials for high temperature applications. Confirmation of nanoscale grains of the γ/γ′-phase was obtained by TEM, high-resolution TEM, and AFM. We concluded that these changes result from the plastic deformation of the bond-coat during the deposition, resulting in Co Ni Cr Al Y bond-coatings with excellent thermal cyclic resistance suitable for use in high-temperature applications. Cyclic oxidative stability was observed to also depend on the underlying metallic alloy substrate.
文摘To make inorganic structure data more useful for further studies a five-point list of simple procedures to be followed by authors of crystal structure papers is proposed. 1. A crystal structure should be described with the space group corresponding to its true symmetry. 2. A new structure proposal should be tested, if it is realistic in principle. 3. A structure should be described with a space group in a setting given in the International Tables. 4. For a comparison with other structures the structure data should be standardized with the program STRUCTURE TIDY. 5. 揘ew?structure data should be checked in the databases, Chemical Abstracts or on-line internet resources, if they are really new. The list is supplemented with many explanations, commentaries, examples and references.
文摘Rhodamine B-ethylenediamine-beta-cyclodextrins (RhB-beta-CDen) and rhodamine B-beta-cyclodextrins (RhB-beta-CD) form inclusion complexes with many guest molecules, which can be used as nucleic acid probe. In this paper we determined the most stable conformations of RhB-beta-CDen and RhB-beta-CD by molecular mechanics and dynamics simulation. The interaction between RhB-beta-CDen and two guest molecules, 1-borneol and cyclohexanol, have been investigated both theoretically and experimentally. The results show that the interaction between borneol and RhB-beta-CDen is stronger than that between cyclohexanol and RhB-beta-CDen.
文摘X-ray diffraction line profiles of low density polyethylene(LDPE)/ (ethylene-propylene-octene-1)copolymer(EPO)blends have been analyzed with variance range function method.Theories for determining the microparacrystallite size and the distortion parameter from single reflection have been described,and the value of these two parameters at (110)and(200)directions have been determined.
文摘A nanostructured Hf11Ni89 ribbon sample was prepared by melt-spinning. It was found that the as-quenched sample is composed of a major HfNi5 compound nanophase and an interfacial magnetic Ni(Hf) solid solution phase. The structure evolution of the sample was studied by using X-ray difFraction (XRD), transmission electron microscopy (TEM), difFerential scanning calorimetry (DSC), resistivity and magnetothermal analysis. Upon heating, a second precipitation process of the Ni(Hf) phase prior to grain growth wa5 detected by means of both structural analysis and physical property measurements. The measurement results are discussed based on the relationship between microstructure and physical properties.
文摘The canonical and locatized molecutar orbiters of [NCCuS_2NoS_2]^(2-) cluster were calculated by means of CNDO quantum chemistry method. Then the energy and properties of corresponding chemicat bonds were discussed, especially, Cu-Sb-No three center conjugated π bonds and No-St-No conjugated π bonds were accounted for.
文摘Nanometer-sized metal clusters were prepared inside single crystalline MgO films by vacuum co-deposition of metals and MgO. The atomic structure was studied by high-resolution electron microscopy (HREM) and nm-area electron diffraction. The size of the clusters is ranging from 1 nm to 3 nm without those larger than 5 nm, and most of them have definite epitaxial orientations with the MgO matrix films. The character of the composite films is very much useful for the studies of various kinds of physical properties with anisotroPy. The physical properties such as electric transport, magnetic, optical absorption, sintering and catalytic ones were thus measured on the same samples analyzed by HREM by using high sensitivity apparatus with interest of clarifying the retationship between the atomic structure and physical properties
文摘The struetural effect of the conjugative system(C)with carbonyl-imino bridges has been studied.The results show that:In the conjugated system(C),there is no electronic absorption peak attributable to the whole system,but there are three π-π* bands each nt which displays chacactecistics of its own independently.These indicate that the two bridges-carbonyl-and-imino-can block the tlanSmlSSion of the conjngative polarization of the whole system,so as to form three segments,this is verified by means of chemical synthesis and degradation.
文摘Electrolyte electroreflectance (EER) has been widely employed to investigate the electronic energy band structure and related physical properties of semiconductors. The electrolyte electroreflectance (EER) method combined with electrochemical anodic dissolution was used to study GaAs/GaAlAs multilayer structural materials. According to variation of the EER spectra during anodic dissolution the characteristics of GaAs/GaAlAs multilayer structural materials such as properties of the interface, p-n junction positions and Al content profiles were obtained.
基金partly supported by the NSFC(No.21301023)the 2014 Program for Liaoning Excellent Talents in University(No.LJQ2014138)the Fundamental Research Funds for the Central Universities(No.DC201502080305)
文摘A novel chiral copper(Ⅱ) complex with racemic 1,2-diaminocyclohexane and iodide,[Cu(Ⅱ)(1,2-diaminocyclohexane)_3](I)_2·3H_2O(1) has been synthesized and structurally characterized by X-ray single-crystal diffraction,elemental analysis,infrared spectroscopy,Raman spectroscopy and thermogravimetric analysis. In complex 1,the CuⅡ ion was coordinated by six nitrogen atoms of three 1,2-diaminocyclohexane molecules. The structure of complex 1 can be described as a supramolecular 3D-like structure which was formed by intermolecular hydrogen-bonding interactions between mononuclear molecules,uncoordinated water molecules and two iodide anions. UV-vis absorption spectrum and surface photovoltage properties of complex 1 have also been studied.
文摘The electronic structure and chemical bonding of the title comp- lexes have been studied by an unrestricted INDO program made applicable for the lanthanoid compounds.The results indicated:(1)In coordinated bonds O-Ln and N-Ln,5d orbitals of Ln have large contribution in all valence orbitals of Ln and 4f orbitals have very small contribution.(2)The covalent chara- cter and ionic character are almost equal in the chemical bond which is comparatively weak between phen,C_2H_5OH and Ln are mainly ionic with some covalent character.
基金Supported by the National Natural Science Foundation of China under Grant Nos 11647011,11605105 and 11604181the Shandong Provincial Natural Science Foundation of China under Grant No 2016ZRB01A38
文摘We describe high-level ab initio calculations on the BH_2, HBF, HBCl and HBBr radicals. Molecular structure,vibrational frequencies and potential energy curves of the ground state and the first excited state, which are two Renner-Teller components for a^2Π state at linearity, are studied using the basis sets aug-cc-pVTZ and icMRCI+Q technique. On the basis of the potential energy curves, a reliable potential energy barrier to dissociation HB+X(X=F, Cl, Br) fragments and to linearity are given. The ab initio results will add some understanding on the spectrum and the photo-dissociation dynamics of the series of radicals.
文摘A method for the analysis of the relationship between the helical structure and optical activity was proposed by the study of the conformations and X-ray diffraction structures of some cyclic esters prepared by esterification of L-(-)-2.3-O-methylidene threitol and L-(+)-2,3-O-isopropplidene threitol with alkanedioyl dichlorides and o-,m-,and p-phthaloyl dichlorides.
基金the"National Key Basic Research Development Programming"Project of China(No.2001CB610703).
文摘The mechanical properties of several kinds of coal gangue calcined with limestone were Researched so as to find the optimum way of calcinations with limestone. Microstructure and property of hydration process of cement pastes containing added-calcium coal gangue were analyzed by means of scanning electron microscope (SEM) and method of mercury in trusion poremeasurement (MIP), etc. The experiment can approve those results: when proper amounst of gypsum and fluorite were taken as mineralizers in the course of calcinations of added-calcium coal gangue, activity of coal gangue can be effectively improved. The results of mechanical property and structural characteristic such as hydration process, hydration product and microstructure etc. of cement pastes containing added-calcium coal gangue are consistent.