Table of Contents

• Cover and Table of Contents for Vol.28 No. 12
• 2012, 28 (12): 0.

• 1477Abstract/Metrics
• 1385 PDF(5857KB)

THERMODYNAMICS, KINETICS, AND STRUCTURAL CHEMISTRY

• Ultrafast Internal Conversion Dynamics of Benzyl Chloride by Femtosecond Time-Resolved Photoelectron Imaging
• DING Zhong-Hua, QIU Xue-Jun, XU Yan-Qi, WANG Yan-Mei, ZHANG Bing
• The ultrafast internal conversion of benzyl chloride (BzCl) was studied with femtosecond time-resolved photoelectron ima...
• 2012, 28 (12): 2761-2766. DOI: 10.3866/PKU.WHXB201210124

• 2584Abstract/Metrics
• 1109 PDF(969KB)

• Reaction of p-Chloronitrobenzene Adsorbed on Silver Nanoparticles
• LUO Wen-Li, SU Ya-Qiong, TIAN Xiang-Dong, ZHAO Liu-Bin, WU De-Yin, TIAN Zhong-Qun
• Surface-enhanced Raman spectroscopy (SERS) on silver nanoparticles is highly sensitive because of surface plasmon resona...
• 2012, 28 (12): 2767-2773. DOI: 10.3866/PKU.WHXB201209052

• 3843Abstract/Metrics
• 1491 PDF(1090KB)

• Synthesis and Spectral Properties of Salen-Porphyrin Type Homo- and Hetero-Binuclear Complexes with π-Conjugate Configuration
• WANG Guan-Yao, YAN Wei-Wei, ZHANG Xiao-Hong, RUAN Wen-Juan, ZHU Zhi-Ang
• Two new types of Salen-porphyrin ligand and metal complexes with π-conjugate configurations were synthesized. The mon...
• 2012, 28 (12): 2774-2782. DOI: 10.3866/PKU.WHXB201209261

• 2537Abstract/Metrics
• 1203 PDF(655KB)

• Structures, Thermodecomposition Kinetics and Luminescence Properties of Three Lanthanide-Based Supramolecular Compounds with 1H-Benzimidazole-2-carboxylic Acid
• DUAN Lin-Qiang, QIAO Cheng-Fang, WEI Qing, XIA Zheng-Qiang, CHEN San-Ping, ZHANG Guo-Chun, ZHOU Chun-Sheng, GAO Sheng-Li
• Three lanthanide-based supramolecular compounds, [Ln(HBIC)3]n [Ln=Sm (1), Ho (2), Yb (3); H2BIC=1H-benzimidazole-2-carbo...
• 2012, 28 (12): 2783-2789. DOI: 10.3866/PKU.WHXB201210122

• 3107Abstract/Metrics
• Supporting Info
• 1195 PDF(1067KB)

THEORETICAL AND COMPUTATIONAL CHEMISTRY

• Prediction of the Thermal Conductivity of Organic Compounds Using Heuristic and Support Vector Machine Methods
• SHI Jing-Jie, CHEN Li-Ping, CHEN Wang-Hua, SHI Ning, YANG Hui, XU Wei
• To build the quantitative structure-property relationship (QSPR) between the molecular structures and the thermal conduc...
• 2012, 28 (12): 2790-2796. DOI: 10.3866/PKU.WHXB201209273

• 2597Abstract/Metrics
• 1168 PDF(625KB)

• Theoretical Simulation on the Chromatographic System Based on the Random Diffusion of the Separating Particles
• GUO Yan, FU Ying-Qiang, SUN Yin-Lu, CHEN Tian-Nan, ZHAO Jian-Wei
• In order to dynamically track the trajectory of diffusing molecules in a chromatography system, and to thoroughly unders...
• 2012, 28 (12): 2797-2802. DOI: 10.3866/PKU.WHXB201209141

• 2397Abstract/Metrics
• 1208 PDF(790KB)

• Semiclassical Dynamics Simulation and CASSCF Calculation for 5-Methyl Cytosine and Cytosine
• YUAN Shuai, MA Jing, ZHANG Wen-Ying, SHU Kun-Xian, DOU Yu-Sheng
• We performed a semiclassical dynamics simulation study of the photophysical deactivation of 5m-cytosine (5m-Cyt) and cyt...
• 2012, 28 (12): 2803-2808. DOI: 10.3866/PKU.WHXB201209284

• 2354Abstract/Metrics
• 1108 PDF(1623KB)

• Effect of Substituents on Hydrogen Bond Strength in Hydrogen-Bonded N-methylacetamide and Uracil Complexes
• LIU Dong-Jia, WANG Chang-Sheng
• Theoretical calculations on a series of N－H…O＝C hydrogen-bonded complexes containing 1-methyluracil and N-methyla...
• 2012, 28 (12): 2809-2816. DOI: 10.3866/PKU.WHXB201209263

• 3721Abstract/Metrics
• Supporting Info
• 1250 PDF(2113KB)

• Properties and Weak Directionality of the π-Lithium Bond in C₂H_4-nF_n···LiH (n =0, 1, 2) Dimers
• WANG Shu-Jian, LI Ying, WU Di
• Using the second-order Møller-Plesset perturbation method, the structures and π-lithium bonding properties of ...
• 2012, 28 (12): 2817-2823. DOI: 10.3866/PKU.WHXB201208291

• 2894Abstract/Metrics
• 1056 PDF(819KB)

• Accurate Calculation of the Reaction Barriers and Rate Constants of the Pyrolysis of Alkyl Radicals in the β Position Using the Isodesmic Reaction Method
• WANG Bi-Yao, TAN Ning-Xin, YAO Qian, LI Ze-Rong, LI Xiang-Yuan
• The isodesmic reaction method is proposed for the accurate calculation of the reaction barriers and rate constants for a...
• 2012, 28 (12): 2824-2830. DOI: 10.3866/PKU.WHXB201209053

• 3035Abstract/Metrics
• 1489 PDF(589KB)

• 1,2- and 1,4-Addition Reactions between Silabenzenes and HX (X=F, OH, NH₂)
• WANG Yan, ZENG Xiao-Lan
• Density functional theory calculations at the B3LYP/6-311 ++ G(d,p) level were performed to study the reaction mechanism...
• 2012, 28 (12): 2831-2838. DOI: 10.3866/PKU.WHXB201208134

• 3748Abstract/Metrics
• 1348 PDF(1788KB)

• Nonlinear Optical Properties of a Series of 6,12-Diethynylindeno[1,2-b]fluorene Derivatives
• SONG Hong-Juan, ZHANG Meng-Ying, SUN Xiu-Xin, SUN Shi-Ling QIU Yong-Qing
• The polarizabilities (αs) and second hyperpolarizabilities (γs) of a series of 6,12-diethynylindeno[1,2-b]fl...
• 2012, 28 (12): 2839-2844. DOI: 10.3866/PKU.WHXB201209283

• 3003Abstract/Metrics
• 1143 PDF(773KB)

• Defects Energetics, Electronic Structure and Optical Properties of Cu-Doping and Zn Vacancy Impurities in ZnSe
• GUO Lei, HU Ge, ZHENG Sheng-Tao
• Based on first-principles within the density functional theory, the geometric structures of perfect zinc blend ZnSe, tha...
• 2012, 28 (12): 2845-2851. DOI: 10.3866/PKU.WHXB20121083

• 3104Abstract/Metrics
• 1281 PDF(1233KB)

ELECTROCHEMISTRY AND NEW ENERGY

• Quasi-Solid State Dye-Sensitized Solar Cells Based on the Novel Crosslinked Polymer Electrolyte
• LIANG Gui-Jie, ZHONG Zhi-Cheng, XU Jie, ZHANG Zeng-Chang, CHEN Mei-Hua, LI Zai-Fang, HE Ping, HOU Qiu-Fei
• A quasi-solid-state three-dimensionally crosslinked poly(citric acid-ethylene glycol) (PCE)/ LiI/I2 polymer electrolyte ...
• 2012, 28 (12): 2852-2860. DOI: 10.3866/PKU.WHXB201210091

• 3276Abstract/Metrics
• 1554 PDF(1351KB)

• Photoelectrochemical Properties of CdS/ZnO Shell-Core Nanorod Arrays Modified with P3HT
• SUN Bao, HAO Yan-Zhong, GUO Fen, LI Ying-Pin, LUO Chong, PEI Juan, SHEN Shi-Gang
• Highly ordered ZnO nanorod arrays were prepared on an indium-tin oxide (ITO) glass substrate using an electrochemical me...
• 2012, 28 (12): 2861-2866. DOI: 10.3866/PKU.WHXB201209051

• 2816Abstract/Metrics
• 1208 PDF(1657KB)

• Direct Electrochemistry and Immobilization of Glucose Oxidase on Nano-Carbon Aerogels
• YU Zhi-Hui, SU Ting-Ting, REN Cui-Hua, LI Fan, XIA Ding-Guo, CHENG Shui-Yuan
• Nano-carbon aerogels (CA) were prepared by the reaction between resorcinol and formaldehyde in alkaline conditions. The ...
• 2012, 28 (12): 2867-2873. DOI: 10.3866/PKU.WHXB201209201

• 2619Abstract/Metrics
• 1144 PDF(1019KB)

• Magnetic and Electrochemical Properties of NiCo₂O₄ Microbelts Fabricated by Electrospinning
• ZHU Fu-Liang, ZHAO Jing-Xin, CHENG Yong-Liang, LI Hai-Bao, YAN Xing-Bin
• Cobaltate nickel (NiCo2O4) microbelts were fabricated by direct calcination of electrospun precursor samples with an app...
• 2012, 28 (12): 2874-2878. DOI: 10.3866/PKU.WHXB201209063

• 3628Abstract/Metrics
• 1852 PDF(822KB)

• Synthesis and Characteristics of Pt/graphene by Co-Reduction Method for Oxygen Reduction Reactions
• WANG Wan-Li, MA Zi-Feng
• 40% (w) Pt/graphene composites were prepared by sodium borohydride chemical coreduction, and were subsequently used as a...
• 2012, 28 (12): 2879-2884. DOI: 10.3866/PKU.WHXB201209252

• 3571Abstract/Metrics
• 1504 PDF(1317KB)

• Optimizing the Hydrothermal Synthesis of Micro-Sized Olivine LiFePO₄
• SUN Xiao-Fei, XU You-Long, LIU Yang-Hao, LI Lu
• The low tap density of LiFePO4 is hindering the energy and power density of lithium-ion batteries in portable electronic...
• 2012, 28 (12): 2885-2892. DOI: 10.3866/PKU.WHXB201209271

• 2903Abstract/Metrics
• 1625 PDF(2891KB)

• Ionic Conduction in Sn_0.9Mg_0.1P₂O₇ at Intermediate Temperatures
• WANG Hong-Tao, SUN Lin, CHEN Ji-Tang, LUO Chun-Hua
• Sn0.9Mg0.1P2O7 was synthesized in a solid state reaction and characterized by X-ray diffraction (XRD) and scanning elect...
• 2012, 28 (12): 2893-2897. DOI: 10.3866/PKU.WHXB201210101

• 2682Abstract/Metrics
• 907 PDF(606KB)

• P123-Assisted Rheological Phase Reaction Synthesis and Electrochemical Performance of Li₃V₂(PO₄)₃/C Cathode
• YUAN Zhi-Hong, MA Jun, CHEN Xing, LIU Kai-Yu
• A monoclinic Li3V2(PO4)3/C cathode has been synthesized for use in lithium ion battery applications via a P123-assisted ...
• 2012, 28 (12): 2898-2904. DOI: 10.3866/PKU.WHXB201209253

• 2883Abstract/Metrics
• 1826 PDF(1171KB)

CATALYSIS AND SURFACE SCIENCE

• A Sorbent Concentration-Dependent Langmuir Isotherm
• ZHAO Ling-Xi, SONG Shu-E, DU Na, HOU Wan-Guo
• Batch adsorption experiments of Pb(II) and Cu(II) on kaolinite as a function of kaolinite concentration were conducted. ...
• 2012, 28 (12): 2905-2910. DOI: 10.3866/PKU.WHXB201209251

• 4067Abstract/Metrics
• 1715 PDF(1742KB)

• Polymerizable Complex Synthesis of Protonated Form of Layered Perovskite K_0.5La_0.5Bi₂Ta₂O₉ for Water Splitting into Hydrogen
• CHEN Wei, GAO Han-Yang, YANG Yu, LIN Pei-Bin, YUAN Jian, SHANGGUAN Wen-Feng, SU Jia-Chun, SUN Yang-Zhou
• The protonated layered perovskite oxide H1.9K0.3La0.5Bi0.1Ta2O7 (HKLBT) was prepared from K0.5La0.5Bi2Ta2O9 (KLBT) by H ...
• 2012, 28 (12): 2911-2916. DOI: 10.3866/PKU.WHXB201208011

• 3348Abstract/Metrics
• 1506 PDF(1455KB)

• Enhanced Visible Light Activity of BiVO₄ by Treating in HCl Aqueous Solution and Its Mechanism
• LONG Ming-Ce, WAN Lei, ZENG Ceng, LIU Yi-Yi, CHEN Yuan-Yuan
• Enhanced photocatalytic activity of BiVO4 has been achieved by immersing in HCl aqueous solution. After treated for 6 h ...
• 2012, 28 (12): 2917-2923. DOI: 10.3866/PKU.WHXB201209032

• 3510Abstract/Metrics
• Supporting Info
• 1419 PDF(872KB)

• Ni₂P Catalysts Supported on TiO₂-Pillared Sepiolite for Thiophene Hydrodesulfurization
• LIAO Hui, XU Xiang-Lan, CHEN Wei-Qing, SHI Qiu-Jie, LIU Wen-Ming, WANG Xiang
• Samples containing a nickel phosphide precursor were synthesized by the impregnation method using TiO2-pillared sepiolit...
• 2012, 28 (12): 2924-2930. DOI: 10.3866/PKU.WHXB201209281

• 2575Abstract/Metrics
• 1136 PDF(975KB)

• Behavior of Bubbles on Electrodes with Hierarchical Microporous Structures and Different Wettability
• LIU Meng, GUO Xiang-Fei, WANG Jing-Ming, JIANG Lei
• We have prepared copper electrodes by the hierarchical micropore hydrogen template method. By changing the plating curre...
• 2012, 28 (12): 2931-2938. DOI: 10.3866/PKU.WHXB201209262

• 3561Abstract/Metrics
• 1997 PDF(3982KB)

• Effects of Surface Charge and Electric Field on the Interfacial Thermal Resistance at Liquid/Solid Interfaces
• GE Song, CHEN Min
• Effects of electric field and surface charge on the interfacial thermal resistance between water and solid are discussed...
• 2012, 28 (12): 2939-2943. DOI: 10.3866/PKU.WHXB201209042

• 3001Abstract/Metrics
• 1814 PDF(1502KB)

PHOTOCHEMISTRY AND RADIATION CHEMISTRY

• Synthesis and Characterization of New 1,3,5-Triazine-Based Compounds Exhibiting Aggregation-Induced Emission and Mechanochromism
• OUYANG Mi, YU Chun-Hui, ZHANG Yu-Jian, HU Bin, Lü Xiao-Jing, SUN Jing-Wei, ZHANG Cheng
• Two star-shaped molecules consisting of a 1,3,5-triazine core with peripheral tetraphenylethylene moieties, 2,4,6-tris(4...
• 2012, 28 (12): 2944-2952. DOI: 10.3866/PKU.WHXB201208012

• 6458Abstract/Metrics
• 2474 PDF(1771KB)

• Fluorescence and Raman Spectroscopic Characteristics of the Photo-Induced Electron Transfer of Coumarin 343 Dye-Sensitized TiO₂ Nanoparticles
• JIANG Li-Lin, LIU Wei-Long, SONG Yun-Fei, HE Xing, WANG Yang, WU Hong-Lin, YANG Yan-Qiang
• The fluorescence and Raman spectroscopic characteristics of the photo-induced electron transfer of Coumarin 343 (C343) d...
• 2012, 28 (12): 2953-2957. DOI: 10.3866/PKU.WHXB20121127

• 3483Abstract/Metrics
• 1459 PDF(1377KB)

PHYSICAL CHEMISTRY OF MATERIALS

• Rapid Preparation of Highly Doped CuO/SiO₂ Composite Aerogels
• XU Wei-Wei, DU Ai, TANG Jun, CHEN Ke, ZOU Li-Ping, ZHANG Zhi-Hua, SHEN Jun, ZHOU Bin
• Highly doped CuO/SiO2 composite aerogels were prepared via a propylene oxide pre-reaction method with acetonitrile as so...
• 2012, 28 (12): 2958-2964. DOI: 10.3866/PKU.WHXB201209282

• 3089Abstract/Metrics
• 1436 PDF(1484KB)

Index

• ACTA PHYSICO-CHIMICA SINICA Vol. 28 No. 1-12 2012 INDEX
• 2012, 28 (12): 2965-2989.

• 1562Abstract/Metrics
• 1507 PDF(1585KB)