Reaction degree of composition B explosive with multi-layered compound structure protection subjected to detonation loading

The explosive reaction degree and protection from explosions are concerns in the military field.In this work,the reaction degree of the composition B explosive was investigated experimentally.Multi-layered compound structures were used as barriers to weaken the blast loads.A comprehensive experiment using a high-speed camera and image processing techniques,side witness plates,and bottom witness plates was presented.Using the experimental fragment velocities,fragment piercing patterns,and damage characteristics,the reaction degree of the explosive impeded by different multi-layered compound structures could be precisely differentiated.Reaction parameters of the explosive obstructed by compound structures were obtained by theoretical analysis and numerical simulations.Unlike the common method in which the explosive reaction degree is only distinguished based on the initial pressure amplitude transmitted into the explosive,a following shock wave reflected from the side steel casing was also considered.Different detonation growth paths in the explosive formed.Therefore,all these shock wave propagation characteristics must be considered to analyze the explosive response impeded by compound structures.

Numerical Simulation and Experimental Study of Underwater Compound Structures Containing Honeycomb Interlayer

Honeycomb interlayer structure sound wave transferring theory of infinite is introduced into the underwater noise control. Based on the layered elastic or viscoelastic medium, the sound insulation property of a normal incidence plane wave on underwater honeycomb interlayer structure is studied by using the method of the transfer matrix and percentage distribution of sound energy in As a particular kind of complex multilayered rubber compound structures, honeycomb different areas. compound structure has better sound insulation property than rubber interlayer with cylindrical cavities compound structure. Simulation results show that the property of rubber material has great effect on structural sound insulation. Soft and small Poisson＇ s ratio rubber can obviously improve sound insulation performance of the whole structure. Furthermore, the material property of the face layer of the honeycomb interlayer structure has greater effects on the insulation performance. To validate the theoretical analysis, large samples of freedom-field measurement of honeycomb sandwich compound structure is carried out in the anechoic water tank of our university. The measurement result is in good agreement with the theoretical prediction.

Crystal Structure and Magnetic Properties of a Dinuclear Terbium Compound Tb_2(μ_2-anthc)_4(anthc)_2(1,10-phen)_2

A dinuclear Tb（Ⅲ） compound, Tb_2（μ_2-anthc）_4（anthc）_2（1,10-phen）_2（1, Hanthc = 9-anthracenecarboxylic acid and 1,10-phen = 1,10-phenanthroline）, was synthesized under solvothermal condition and structurally characterized by single-crystal X-ray diffraction. Compound 1 crystallizes in the triclinic system, space group P1, with a = 12.5061（12）, b = 13.3168（10）, c = 15.0079（12） ？, α = 110.620（7）, β = 102.941（7）, γ = 107.036（7）o, V = 2081.8（3） ？~3, Z = 1, C_（114）H_（70）N_4O_（12）Tb_2, M_r = 2005.58, D_c = 1.600 g/cm^3, μ = 1.759 mm^（-1）, F（000） = 1008, the final R = 0.0294 and w R = 0.0608 for 8900 observed reflections with I 〉 2s（I）. In compound 1, two Tb（Ⅲ） ions are linked by four carboxylate groups of the bridging anthc– ligands to give a dinuclear Tb_2（μ_2-anthc）_4 unit wherein each Tb（III） ion is further capped by a terminal anthc– ligand and a 1,10-phen ligand in a chelating fashion. Detailed direct-current and alternating-current susceptibility measurements showed no slow magnetism relaxation phenomenon was observed for 1.

Synthesis,Crystal Structure and Photoluminescent Property of a Novel Dy^(3+) Coordination Compound Containing Rare(H_2O)_(22) Clusters

A novel Dy^（3＋） coordination compound,（H_2pipz）（H_3O）[Dy（pydc）_3]·11H_2O（1,pipz = piperazine and H_2pydc = pyridine-2,6-dicarboxylic acid）,has been hydrothermally synthesized and characterized by X-ray single-crystal diffraction,elemental analysis. It is interesting that the packing structure of compound 1 contains 22-core water clusters. Compound 1 is extended into a threedimensional supramolecular structure via O···H···O hydrogen bonding interactions. Furthermore,the luminescent property of compound 1 was also investigated.

Solvothermal Synthesis,Crystal Structure and Luminescent Property of a Two-dimensional Lead(Ⅱ) Compound：[Pb(bmzbc)2]n

A two-dimensional coordination polymer, [Pb（bmzbc）2]n（1）（Hbmzbc =4-benzimidazole-1-yl-benzoic acid）, has been synthesized by the solvothermal reaction of Pb（NO3）2 with Hbmzbc at 120 ℃ in ethanol solvent. Compound 1 has been characterized by single-crystal X-ray diffraction, powder X-ray diffraction, thermogravimetry analysis, and IR spectrum. Compound 1 crystallizes in the orthorhombic system, space group Pccn, with a = 12.5801（7）, b = 20.0795（11）, c = 9.1830（6） ？, V = 2319.6（2） A^3, Z = 4, C（28）H（18）N4O4Pb, Mr = 681.65, Dc = 1.952 g/cm^3, μ = 7.319 mm^-1, F（000） = 1312, the final R = 0.0336 and wR = 0.0965 for 1699 observed reflection with I 〉 2σ（I）. In 1, the bmzbc^– ligands bridge the Pb（Ⅱ） ions to generate a 2-D sheet with（4, 4） topology. The complex exhibits turquoise photoluminescent emission with a maximum at 480 nm upon excitation at 300 nm.

Structure of the Intermetallic Compound Ni_3Al Synthesized under Compression of the Powder Mixture of Pure Elements Part Ⅰ: Phase Composition and Microstructure of Main Phase

It was shown by TEM and X-ray analysis that there are four types of grains of the main Ni3Al phase in the structure of the intermetallic obtained by the self-propagation high temperature method (SHS). Every type of grains has its own domain and dislocation structure. There are mono- and polydomains with and without dislocations. The grains of the main phase of monoand polydomains without dislocations and polydomains with dislocations were formed by diffusion in the solid phase. In these conditions NiAl3 phase is located on the grain boundary of the main phase. The Ni2Al3 phase is located at the triple joints of the main phase.

Syntheses,Crystal Structures and Fluorescence Properties of Two Mononuclear Copper(Ⅱ) Compounds

Two new compounds,1（[Cu（IDB_）2]Cl_2·2CH_3CH_2OH·2H_2O（IDB = N,N-di（2-benzimidazolylmethyl）imine]） and 2（[Cu（EDTB）]·2[C_6H_4（OH）COO]·6H_2O（EDTB = N,N,N＇,N＇-tetrakis-[（2-benzimidazolyl）methyl]-1,2-ethanediamine]）,have been synthesized and their crystal structures were determined by single-crystal X-ray diffraction. Crystal 1 belongs to the triclinic system,space group P1 with a = 9.565（2）,b = 9.863（2）,c = 10.252（3） ？,α = 81.915,β = 88.330,γ = 87.347°,V = 956.28（40） ？3,Z = 1,F（000） = 427,D_c = 1.419 g/cm3,Mr = 817.27 and μ（MoKα） = 0.764 mm^（-1）. The final R indices（I 〉 2σ（I））： R = 0.0505,wR = 0.1417; R indices（all data）： R = 0.0591,wR = 0.1525. Crystal 2 is of triclinic system,space group P1 with a = 11.487（3）,b = 13.396（4）,c = 17.977（5） ？,α = 73.899（5）,β = 86.629（5）,γ = 65.018（4）°,V = 2403.8（12） ？3,Z = 2,F（000） = 1072,D3c = 1.417 g/cm,Mr = 1025.54,μ（MoKα） = 0.528 mm^（-1）. The final R indices（I 〉 2σ（I））： R = 0.0769,w R = 0.163 2; R indices（all data）： R = 0.0769,wR = 0.1632. The two compounds exhibit mononuclear structures. The copper（Ⅱ） atom of crystal 1 is six-coordinated by four nitrogen atoms of benzimidazole groups and two amine nitrogen atoms from the ligand IDB to adopt a distorted octahedral coordination geometry. The copper（Ⅱ） atom of crystal 2 is six-coordinated by four nitrogen atoms of benzimidazole groups and two amine nitrogen atoms from the ligand EDTB to show a distorted octahedral coordination geometry. Particularly,the two compounds exhibit fluorescent properties at room temperature in ethanol.

Crystal Structure and Magnetic Properties of a Two-dimensional Compound{(Me2NH2)4[Co(SIP)2]·2(DMF)·3(H2O)}n

A new cobalt（II） compound, {（Me2NH2）4[Co（SIP）2]·2（DMF）·3（H2O）}n（1, H3 SIP =5-sulfoisophthalic acid）, has been synthesized under solvothermal condition and structurally characterized by single-crystal X-ray diffraction. Compound 1 crystallizes in the tetragonal system,space group P 4 21 m, with a = 14.3080（7）, b = 14.3080（7）, c = 12.1837（9） ?, V = 2494.2（3） ?~3, Z =2, CHNOSCo, Mr = 929.87, Dc = 1.238 g/cm, μ = 0.496 mm, F（000） = 982, flack parameter of 0.007（9）, the final R = 0.0767 and wR = 0.2110 for 2391 observed reflections with I >2σ（I）. The tetrahedral Co（II） ions are linked by carboxylate groups of the 5-sulfoisophthalate ligands to form an anionic two-dimensional（2D） layer displaying a（4,4） square network, which was charge-balanced by the [MeNH] + cations occupying the spaces between the 2D layers. Magnetic properties of 1 have been investigated in detail using direct-current and alternating-current susceptibility measurements.

Structure of the Intermetallic Compound Ni_3Al Synthesized under Compression of the Powder Mixture of Pure Elements Part Ⅱ: Influence of Alloying by Boron on the Phase Composition and the Microstructure of Grains of the Main Phase

The Ni_3B phase was formed when boron (0.5 at. pct B) was added to the intermetallic of sto- ichiometric and off-stoichiometric (Ni-24 at. pct Al) compounds. In the alloy of stoichiometric composition the particles of Ni_3B phase has the size around 0.1μm and is located on the grain boundary of the main phase. The decreasing of concentrations of Al in the ofF-stoichiometric alloy leads to increase in the degree of the long-range order parameter, increasing the concen- trations of boron in the solid solution and decreasing its localization on the grain boundary. Microalloying of boron leads to increasing in the fraction of grain monodomains with disloca- tions up to 0.7 in the alloy of the off-stoichiometric composition and up to 1 in the alloy of the stoichiometric composition. It was established the correlation between the degree of the concentration inhomogeneity, average density of the dislocations and the average long range-order parameter.

A Dinuclear Dysprosium-2-quinolinecarboxylate-1,10-Phenanthroline Compound:Crystal Structure and Magnetism

A dinuclear dysprosium（III） compound,[Dy2（μ2-OH）2（QLC）4（1,10-phen）2]·4H2O（1）（QLC-= 2-quinolinecarboxylate and 1,10-phen = 1,10-phenanthroline）,was synthesized and structurally and magnetically characterized.Compound 1 crystallizes in triclinic system,space group P1 with a = 10.9439（3）,b = 11.2823（3）,c = 12.2323（4） ？,α = 107.446（3）,β = 91.700（3）,γ = 91.511（2）°,V = 1439.25（8） A3,Z = 1,C（64）H（50）N8O（14）Dy2,Mr = 1480.12,Dc = 1.708 g/cm3,μ = 2.653 mm-1 and F（000） = 734.The final R = 0.0366 and w R = 0.0736 for 5816 observed reflections with I 〉 2σ（I）.Compound 1 contains the mononuclear [Dy（QLC）2（1,10-phen）] subunit formed from one 1,10-phen and two QLC-ligands chelating Dy（III） ion.Two mononuclear [Dy（QLC）2（1,10-phen）] subunits are bridged by a pair of μ2-OH groups to give a centrosymmetric dinuclear [Dy2（μ2-OH）2（QLC）4（1,10-phen）2] with each Dy（III） ion being eight-coordinated.Detailed susceptibility measurements revealed that compound 1 does not show slow magnetic relaxation under zero direct-current field but exhibits field-induced slow magnetic relaxation under 2 kOe applied field.

Crystal Structure and Luminescent Properties of a 3D Cd(Ⅱ) Compound Constructed from Succinate and 3,6-Di(4-pyridyl)pyridazine

A three-dimensional（3D） coordination polymer,[Cd（SC）（DPPD）]_n（1,H_2SC = succinic acid and DPPD = 3,6-di（4-pyridyl）pyridazine）,has been synthesized by the solvothermal reaction of Cd（NO_3）_2·4H_2O with H_2 SC and DPPD at 120 ℃ in DMF solvent. Compound 1 crystallizes in the monoclinic system,space group P2_1/c,with a = 10.7993（4）,b = 11.7705（3）,c = 13.5336（6） A,V = 1678.89（11） A^3,Z = 4,C18H14N4O_4 Cd,M_r = 462.73,D_c = 1.831 g/cm^3,μ = 1.335 mm^（-1）,F（000） = 920.0,the final R = 0.0500 and wR = 0.1567 for 3714 observed reflections with I 〉 2s（I）. In compound 1,the Cd（Ⅱ） ions are linked by the SC^2– ligands to give a two-dimensional（2D） undulating sheet based on the centrosymmetric dinuclear Cd_2（COO）_2 units. The 2D sheets are further connected by the DPPD ligands to produce a 3D structure,which is a 6-connected（4^4·6·^10·8） topological network based on the dinuclear Cd_2（COO）_2 node. Compound 1 exhibits a photoluminescent emission with a maximum at 540 nm upon excitation at 460 nm.

A NEW TYPE OF CHAIN COMPOUND,STRUCTURE OF TA_4(TE_2)_4TE_4I

Ta_4(Te_2)_4Te_4I,Mr=2381.90,Monoclinic,C2/c,a=21.987(2),b=6.153(2),c= 19.936(3),β=122.42(14),V=2276.7 ~3,z=4,Dm=6.8(5)g/cm^3,Dc=6.95g/cm^3,λ(Mok)= 0.71073,μ=354.0cm^(-1),F(000)=3876,T=296(1)k,R=5.3%,Rw=6.8%,for 1118 unique observed reflections(1>3σ(Ⅰ)).The structure is composed of [Ta_4(Te_2)_4Te_4I]_∞~ chains,which are formed by the four-nuclear butterfly cluster units "Ta_4(Te_2)_4Te_4" with the Ⅰ atoms as the bridging atoms between different cluster units.

STUDY ON THE STRUCTURES OF COORDINATION COMPOUNDS OF N-(ortho-METHYL)-AND N-(ortho-METHOXY)-PHENYL IMINODIACETATO-Cu(Ⅱ)

The coordination compounds,{Cu[CH_3C_6H_4N(CH_2COO)_2]}.2H_2O and {Cu[CH_3OC_6H_4N(CH_2COO)_2]}.2H_2O,have been prepared and its crystal struc- tures determined.The final discrepancy factors are R=0.052,R_w=0.061 for (I)and R=0.052,R_w=0.039 for(Ⅱ).The geometry of the coordination poly- hedron with Cu(Ⅱ)is a distorted tetragonal pyramid for(Ⅰ)and an unsym- metrical and extended tetragonal bipyramid for(Ⅱ),respectively.The re- sults of EHMO calculations indicate that the ligand mainly provided the field with very few of its electrons being coordinated to the central atom.

THE CONTINUOUS MULTIPLE CENTRE d-pπBOND IN SOLID STATE (Ⅰ) Band Structure And Metallic Behavior in TaPtTe_5 Type Compounds

In this paper, we propose a new type of bond, continuous multi-centered d-pn bond on the basis of the Extended Huckel Tight-Banding Calculation and SCC-EHMO calculation for TaPtTe5 and its iso-structural compounds with infinite continuous structrue. The results show that the d-pπbonds which are mainly responsible for the metallic properties are very strong and dispersive. The ΔE, the energy gap between half-filled band block and the unoccupied band block is closely related to the conductivity. The conductivity of TaPdTe5 and NbPtTe5 is predicted. The perturbations between Te atoms in intralayer and interlayer are discussed.

Synthesis and Crystal Structure of a Novel Ion-pair Compound Consisting of 1,3-Bis(4-cynobenzyl) Imidazole Cation and 7,7,8,8-Tetracyanoquinodimethanide Anion

A novel compound [（CNBz）2Im]2（TCNQ）3（CH3CN）（（CNBz）2Im = 1,3-bis（4-cyano-benzyl） imidazole cation,TCNQ-1 = 7,7,8,8-tetracyanoquinodimethanide anion） was synthesized by the reaction of [（CNBz）2Im]Br and LiTCNQ in water and its structure was determined by single-crystal X-ray diffraction.The crystal belongs to monoclinic,space group P21/c with a = 10.1823（17）,b = 20.292（3）,c = 16.952（3） ,β = 104.73（0）°,V = 3387.6（10）3,Z = 4,C39H24N11,Mr = 646.69,Dc = 1.268 g/cm3,μ = 0.080 mm-1 and F（000） = 1340.The structure was solved by direct methods and refined to R = 0.0596 and wR = 0.0911 for 2690 observed reflections（Ⅰ 〉 2σ（Ⅰ））.The most prominent structural feature is that there are two types of TCNQ entries（TCNQ-1 and TCNQ0） in agreement with the IR spectra analysis of the compound.

STRUCTURE OF MOLECULAR COMPOUND CRYSTAL A_2B(A =1, 6, 7, 8,-TETRA-PHENYL (3, 4-BENZO)BICYCLO[4, 2, 0]OCTA-7-ENE, B=CIS, CIS-1,2,3,4,-TETRAPHENYLBUTADIENE)

C100H78, (A: C36H28, B: C28H22) Mr = 1279. 74, monoclinic, P21/a, a=17. 282(3), b=10. 669(4), c= 19, 927(3) A , β =102. 99(1)°,V = 3580. 1(2) A3, Z=2, μ(MoKα) = 0. 623cm-1, F(000) = 1356, Dc=1. 187g/cm3, room temperature. The final R=0. 084, Rw = 0. 086 for 1255 independent observed reflections (I≥3σ(I)). Owing to the existence of 1,6,7, 8-Tetraphenyl (3,4-benzo)-bicyclo[4, 2, 0]octa-7-ene(A) , cis, cts-1, 2, 3, 4-Tetraphenylbutadiene (B) in A2B can take the different conformation from the one in the pure B crystal. The reason of the formation of this molecular compound crystal is put forward.

Preparation,Crystal Structure and Density Functional Theory Calculations of the Ion-pair Compound [Cl2Bz(3-MeQl)](TCNQ)

A novel compound [Cl2Bz（3-MeQl） ]（TCNQ） （[Cl2Bz（3-MeQl） ]^＋ = 1-（3,4-dichlo-robenzyl） 3-methlquinoline cation,TCNQ-= 7,7,8,8-tetracyanoquinodimethanide anion） has been synthesized by the reaction of [Cl2Bz（3-MeQl） ]Br and LiTCNQ,and its structure was determined by single-crystal X-ray diffraction. The crystal belongs to monoclinic,space group P21/c. The structure analysis shows that the anions are stacked into a column with isolated π-dimers,and there is one type of TCNQ entries（TCNQ^-） ,in agreement with the IR spectra analysis and density functional theory calculations of the compound. The most prominent structural features are the completely segregated stacking columns of the TCNQ- anions and [Cl2Bz（3-MeQl）]＋ cations.

SYNTHESIS AND STRUCTURE OF TETRANUCLEAR MOLYBDENUM CLUSTER COMPOUND[Mo_4S_4(μ-O_2CC_6H_5)_2(dtp)_4]

The cluster compound[Mo_4S_4(μ-O_2CC_5H_5)_2(dtp)_4](dtp=S_2P(OEt)_2)was obtained by the ligand substitution reaction of tetranuclear molybdenum cluster [Mo_4S_4(μ-dtp)_2(dtp)_4]in the mixed solvent of acetone,ethanol and water in the presence of C_6H_5CO_2Na.It is monoclinic and crystallizes in space group C2/c, Mr=1495.09,a=12.175(5),b=22.01(1),c=20.875(9),β=99.04(4)°;V=5575(5);Z=4; Dc=1.78g/cm^3.Final R factor is 0.066.The result reveals that the[Mo_4S_4]cluster core and t-(dtp)^(-1)ligands are retained and only μ-bridged(dtp)^(-1)ligands are substituted by(C_6H_5CO_2)^(-1)in the substitution reaction,thus producing the new title cluster compound,the structure of which contains two species of bidentate ligand.

SYNTHESIS AND STRUCTURE OF AN ASYMMETRIC TRICOBALT COMPOUND Co_3(o-HOC_6H_4S)_2(o-OC_6H_4S)_2(PEt_3)_3

Compound Co_3(o-HOC_6H_4S)_2(o-OC_6H_4S)_2(PEt_3)_3 was obtained by reaction of CoCl_2, o-HOC_6H_4SH(H_2mD)and PEt_3 in ethanol in the presence of NaOCH_3.The three Co atoms are triangularly arranged and asymmetrically bridged by four S and one O atoms from the four H_2mp ligands and terminally ligated by one O and three P atoms.Two free hydroxyl groups form two internal hydrogen bonds with adjacent oxo donor atoms.

SYNTHESIS AND STRUCTURE OF A LINEAR TRIVANADIUM COMPOUND(Ph_4P)[V_3(OC_6H_4S-o)_6]-SIMULATION OF THE VANADIUM SITE OF ALTERNATIVE NITROGENASE

Compound(Ph_4P)[V_3MP_6](MPH_2=o-HOC_6H_4SH)was obtained by reaction of VCl_3 and Na_2MP in ethanol in the presence of Ph_4PBr.It is triclinic and crystallizes in space group P1,fw=1237.3,a=14.127(4), b=14.342(4),c=15.878(4);α=65.08(2),β=73.09(2),T=78.68(2)°;V=2781.3~3, Z=2,d_c=1.48 g/cm^3.Final R factor is 0.063.The three vanadium atoms are linearly arranged and bridged by the oxygen atoms and terminally chelated by the thiolato-atoms of the six MP^2-ligands in pseudo-S_6 symmetry.