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Acta Phys. -Chim. Sin.
Acta Phys. -Chim. Sin.
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中文
Current Issue
2012 Vol. 28,No. 12
Published: 14 November 2012
Current column
Table of Contents
THERMODYNAMICS, KINETICS, AND STRUCTURAL CHEMISTRY
THEORETICAL AND COMPUTATIONAL CHEMISTRY
ELECTROCHEMISTRY AND NEW ENERGY
CATALYSIS AND SURFACE SCIENCE
PHOTOCHEMISTRY AND RADIATION CHEMISTRY
PHYSICAL CHEMISTRY OF MATERIALS
Index
Table of Contents
Cover and Table of Contents for Vol.28 No. 12
2012, 28 (12): 0.
1794
Abstract/Metrics
1460
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
3798
Abstract/Metrics
1252
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
5062
Abstract/Metrics
1603
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
3581
Abstract/Metrics
1346
PDF(655KB)
Structures, Thermodecomposition Kinetics and Luminescence Properties of Three Lanthanide-Based Supramolecular Compounds with 1
H
-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
4426
Abstract/Metrics
Supporting Info
1294
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
3902
Abstract/Metrics
1231
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
3445
Abstract/Metrics
1315
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
3996
Abstract/Metrics
1157
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
5474
Abstract/Metrics
Supporting Info
1361
PDF(2113KB)
Properties and Weak Directionality of the
π
-Lithium Bond in C
2
H
4-
n
F
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
4310
Abstract/Metrics
1256
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
4415
Abstract/Metrics
1676
PDF(589KB)
1,2- and 1,4-Addition Reactions between Silabenzenes and HX (X=F, OH, NH
2
)
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
5075
Abstract/Metrics
1456
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
4090
Abstract/Metrics
1201
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
4477
Abstract/Metrics
1400
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
4653
Abstract/Metrics
1683
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
4033
Abstract/Metrics
1300
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
3725
Abstract/Metrics
1231
PDF(1019KB)
Magnetic and Electrochemical Properties of NiCo
2
O
4
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
5196
Abstract/Metrics
2001
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
4960
Abstract/Metrics
1623
PDF(1317KB)
Optimizing the Hydrothermal Synthesis of Micro-Sized Olivine LiFePO
4
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
4158
Abstract/Metrics
1756
PDF(2891KB)
Ionic Conduction in Sn
0.9
Mg
0.1
P
2
O
7
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
3769
Abstract/Metrics
978
PDF(606KB)
P123-Assisted Rheological Phase Reaction Synthesis and Electrochemical Performance of Li
3
V
2
(PO
4
)
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
4065
Abstract/Metrics
1959
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
5864
Abstract/Metrics
1987
PDF(1742KB)
Polymerizable Complex Synthesis of Protonated Form of Layered Perovskite K
0.5
La
0.5
Bi
2
Ta
2
O
9
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
4806
Abstract/Metrics
1735
PDF(1455KB)
Enhanced Visible Light Activity of BiVO
4
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
4994
Abstract/Metrics
Supporting Info
1565
PDF(872KB)
Ni
2
P Catalysts Supported on TiO
2
-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
4089
Abstract/Metrics
1255
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
5155
Abstract/Metrics
2218
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
4466
Abstract/Metrics
1955
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
8067
Abstract/Metrics
2715
PDF(1771KB)
Fluorescence and Raman Spectroscopic Characteristics of the Photo-Induced Electron Transfer of Coumarin 343 Dye-Sensitized TiO
2
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
4877
Abstract/Metrics
1613
PDF(1377KB)
PHYSICAL CHEMISTRY OF MATERIALS
Rapid Preparation of Highly Doped CuO/SiO
2
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
4518
Abstract/Metrics
1579
PDF(1484KB)
Index
ACTA PHYSICO-CHIMICA SINICA Vol. 28 No. 1-12 2012 INDEX
2012, 28 (12): 2965-2989.
1924
Abstract/Metrics
1606
PDF(1585KB)