Acta Physico-Chimica Sinica
Acta Physico-Chimica Sinica
2006 Vol. 22,No. 06
Published:31 May 2006
Date of publication: 31 May 2006
Kinetics of Flash Pyrolysis of [Co(CHZ
2 and [Ni(CHZ)
SUN Yuan-Hua;ZHANG Tong-Lai;ZHANG Jian-Guo;YANG Li;QIAO Xiao-Jing
T-jump/FTIR spectroscopy was used to study thermal decomposition of energetic material [Co(CHZ)3](ClO4)2 and [Ni(CHZ)3](...
2006, 22 (06): 649-652
DFT Study on the Unsaturated Silylenoid H
LI Wen-Zuo;GONG Bao-An;CHENG Jian-Bo
The unsaturated silylenoid H2C=SiNaF was studied by using the DFT B3LYP method in conjunction with the 6-31+G(d, p) basi...
2006, 22 (06): 653-656
Structure and Synthesis of GaN Powder by Sol-Gel Method
LIU Yi-An;XUE Cheng-Shan;ZHUANG Hui-Zhao;ZHANG Xiao-Kai;TIAN De-Heng;WU Yu-Xin;SUN Li-Li;AI Yu-Jie;WANG Fu-Xue
A novel and efficient method was applied to prepare gallium nitride (GaN) powder. Hexagonal gallium nitride (GaN) powder...
2006, 22 (06): 657-660
Prediction of PVT Properties of Fluids Using FMSA EOS Based on L-J Potential Model
WANG Jian-Zhao;TONG Zhang-Fa;WEI Teng-You;TANG Yiping
First order mean spherical approximation (FMSA) equation of state (EOS) with two parameters for Lennard- Jones (L-J) flu...
2006, 22 (06): 661-665
Study on Solid-State Circular Dichroism Spectroscopy and Its Application to Chiral M(II) Schiff Base Complexes
ZHANG Hui;CHEN Yuan-Chuan;WANG Fang;QIU Xiao-Ming;LI Li;CHEN Jian-Gu
An account on the application of solid-state CD on chiral metal complexes is briefly reviewed. Special focus is on the m...
2006, 22 (06): 666-671
Effect of Na Addition on Catalytic Performance of PtSn/ZSM-5 Catalyst for Propane Dehydrogenation
ZHANG Yi-Wei;ZHOU Yu-Ming;QIU An-Ding;WANG Yu;XU Yi;WU Pei-Cheng
PtSnNa/ZSM-5 catalysts with different amounts of Na were prepared by the sequential impregnation method on HZSM-5 zeolit...
2006, 22 (06): 672-678
The Mechanism of Mesoporous Phase Transition of Titanic-Silica Mesoporous Materials
HU Jun;WANG Jian-Jun;ZHOU Li-Hui;XIE Song-Hai;LIU Hong-Lai
A series of titanic-silica mesoporous materials have been synthesized by using the Gemini surfactant [C16H33(CH3)2N+(CH2...
2006, 22 (06): 679-683
Theory Investigation of (BCO)
ZHANG Xiao-Qing;JIA Jian-Feng;WU Hai-Shun;PEI Xiao-Qin
The structures of the (BCO)n(n=1~12) compounds were studied by HF(Hartree-Fock)/3-21G and B3LYP of density functional th...
2006, 22 (06): 684-690
Ordered Self-assembled Monolayers of
-dicarbonyl Derivatives Studied by STM
DIAO Yu-Xia;ROHDE Dirk;WAN Li-Jun
The adsorption of four β-dicarbonyl derivatives on highly oriented pyrolytic graphite (HOPG) surface was studied by...
2006, 22 (06): 691-695
Two New Methods for Characterizing the Kinetics of the Complexation of Metal/Organic Thin Films and Oxidation of Metal Thin Films
ZHONG Cheng;JIANG Yi-Ming;LUO Yu-Feng;LIAO Jia-Xing;WU Wei-Wei;LI Jin
Two new methods were developed for characterizing the kinetics of the complexation and oxidation processes of the thin f...
2006, 22 (06): 696-700
The Effect of Number on the Structural Properties for Carbon Molecular Wires C
＝3～10) in Ground State
The electronic structural properties of Cn (n=3~10) molecular wires are investigated systemically using the B3LYP densit...
2006, 22 (06): 701-705
Topological Study on the Reaction Mechanism of BH
MO Li-Xin;ZENG Yan-Li;ZHENG Shi-Jun;MENG Ling-Peng
The mechanism for the gas phase ion-molecule reaction of BH2+ with H2O has been investigated by using the B3LYP/6-311+G(...
2006, 22 (06): 706-711
Catalytic Properties of Supported Pd/TiO
Catalysts for Selective Hydrogenation of Acetylene
GU Hong;XU Bo-Lian;ZHOU Jing;LI Yuan-Zhi;FAN Yi-Ning
The structure and catalytic properties of supported Pd/TiO2 and Pd-Ag/TiO2 catalysts for selective hydrogenation of acet...
2006, 22 (06): 712-715
Oxygen Reduction on Ni-MnO
Electrode in Alkaline Solution
ZHAO Feng-Ming;MA Chun-An;CHU You-Qun;XU Ying-Hua
Manganese dioxide was synthesized by a spray pyrolysis method and Ni-MnO2 film-type electrode was prepared by a spray-co...
2006, 22 (06): 716-720
QSAR Studies of Anti-HIV Drug HEPT Using 3D-HoVAIF
TONG Jian-Bo;ZHOU Peng;ZHANG Sheng-Wan;LIANG Gui-Zhao;TIAN Fei-Fei;LI Mei-Ping;LI Sheng-Shi
A newly developed three-dimensional holographic vector of atomic interaction field (3D-HoVAIF) was used to describe the ...
2006, 22 (06): 721-725
Structure and Stability of
WANG Li-Jiang;ZHANG Cong-Jie
Using the B3LYP(Becke-3-parameter-Lee-Yang-Parr) method of density functional theory(DFT), the geometries and electronic...
2006, 22 (06): 726-731
Exfoliation Reaction and Recombination of the Layered Hydroxide Zinc Benzoate with a Basal Spacing of 1.44 nm
MIAO Jian-Ying;WANG Hong-She;ZHAO Li-Fang;LIU Zong-Huai;FENG Qi
The exfoliation reaction and recombination of the layered hydroxide zinc benzoate compound with a fibrous particle morph...
2006, 22 (06): 732-736
Study on the Doping and Interactions of Metal Nanoparticles in the Lyotropic Liquid Crystals
SUI Zhen-Ming;CHEN Xiao;WANG Lu-Yan;XU Li-Mei;YANG Chun-Jie
The hydrophilic silver and hydrophobic gold nanoparticles are doped simultaneously or seperately into different regions ...
2006, 22 (06): 737-743
Photo-induced Reaction of the Complex Mg
HU Yi-Hua;LIN Jia-Yong;WU Hua;CHEN Ren;WANG Xiao-Juan;YANG Shi-He
The single photon induced reaction of complex Mg+-S2(CH3)2 was studied in the spectral region of 230~440 nm. The mass sp...
2006, 22 (06): 744-746
Synthesis and Characterization of
-ester Appended Pyridine Task-specific Ionic Liquids
LI Xue-Hui;JIANG Yan-Bin;ZHANG Lei;LI Rong
A series of N-ester appended pyridinium task-specific ionic liquids (TSILs) were synthesized and characterized by 1H NMR...
2006, 22 (06): 747-751
Synthesis and Electrochemical Properties of Sn-Sb Alloy Prepared by Hydrogen Plasma-metal Reaction
WANG Zhong;TIAN Wen-Huai;LI Xing-Guo
Sn-Sb alloy nanoparticles were prepared by hydrogen plasma-metal reaction. The morphology, crystal structure, and electr...
2006, 22 (06): 752-755
The Effect of Anions on Silver Colloids Aggregation
ZHANG Ai-Ping;FANG Yan
The aggregation effect of yellow silver colloids caused by adding some anions has been investigated with UV-Vis absorpti...
2006, 22 (06): 756-760
Spectrum of •HS and Its Reactions with Oxygen in Aqueous Solution
FANG Hao-Jie;DONG Wen-Bo;ZHANG Ren-Xi;HOU Hui-Qi
The 266 nm laser photolysis formation and chemical behavior of •HS in aqueous solution have been studied by laser ...
2006, 22 (06): 761-763
Charge Trasport Properties in Discotic Liquid Crystals Made of the Extended-core
-phenylene Ethynylene Cycles
DING Fu-Jiang;ZHAO Ke-Qing
Based on the semiclassical model of the charge transfer, kinetic parameters of the charge transfer reaction at the molec...
2006, 22 (06): 764-767
Vapor-Liquid-Solid-Solid Growth Mechanism of Carbon Micro-coils
LI Wen-Jun;XU Hai-Tao;GUO Yan-Chuan;CHEN Li-Juan
Carbon micro-coils, which have double helix structure, are generally prepared by catalytic chemical vapor deposition of ...
2006, 22 (06): 768-770