第23卷第11期目次
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物理化学学报(Wuli Huaxue Xuebao)第23卷第11期(2007年11月)目次通讯离子液体[BMim]BF4对SDS水溶液表面活性和聚集能力的促进雷声张晶黄建滨(1657)研究论文直流反应磁控溅射方法制备碳掺杂TiO2薄膜及其可见光活性朱蕾崔晓莉沈杰杨锡良章壮健(1662) ZnO光子晶体的制备和光学特征王全张琦锋孙晖张俊艳邓天松吴锦雷(1667) Bi2MoO6纳米薄膜的制备及其光电性能满毅宗瑞隆朱永法(1671) 355nm光诱发的水体中HNO2与C6H5Br交叉反应机理秦艳黄丽董文博房豪杰侯惠奇(1677) Tert⁃butyl(N⁃(2⁃bromocyclohex⁃2⁃enyl)⁃N⁃(2⁃furylmethyl)carbamate的结构和振动光谱ARSLAN H.DEMIRCAN A.(1683) CeO2⁃Y2O3涂层和负载型Pd催化剂催化燃烧VOCs……金凌云鲁继青罗孟飞谢冠群何迈(1691)金属离子对咔唑修饰的芳醚树枝形聚合物的荧光猝灭作用………陈洁赵鑫陈金平李本期责任编辑:黄路Cross ⁃Reaction Mechanism between HNO 2and C 6H 5Br in Aqueous Solution under Irradiation at 355nmQIN Yan HUANG Li DONG Wen ⁃Bo FANG Hao ⁃Jie HOU Hui ⁃QiActa Phys.⁃Chim.Sin .,2007,23(11):1677-1682C 6H 5Br …OH can be oxidized by O 2to produce C 6H 5Br …OHO 2.C 6H 5Br …OHO 2decayed by a constant of (2.4±0.1)×104s -1and resulted in quinone.ArticlesPromotion of the Surface Activity and Aggregation Ability of SodiumDodecylsulfate in Aqueous Solution byIonic Liquid 1⁃butyl ⁃3⁃methyl ⁃imidazolium Tetrafluoroborate LEI Sheng ZHANG Jing HUANG Jian ⁃BinActa Phys.⁃Chim.Sin .,2007,23(11):1657-1661The surface property and aggrega-tion behavior of SDS in a mixed sol-vent of ionic liquid [BMim]BF 4and water were investigated.Visible Light Photoelectrochemical Response for Carbon ⁃doped TiO 2Thin Films Prepared by DC Reactive Magnetron Sputtering ZHU Lei CUI Xiao ⁃Li SHEN Jie YANG Xi ⁃Liang ZHANG Zhuang ⁃JianActa Phys.⁃Chim.Sin .,2007,23(11):1662-1666Carbon ⁃doped TiO 2thin films were prepared using a titanium target incrusted with graphite pieces and visible light photoelectrochemical response was observed.Growth and Optical Characteristics of ZnO Photonic CrystalsWANG Quan ZHANG Qi ⁃Feng SUN Hui ZHANG Jun ⁃Yan DENG Tian ⁃Song WU Jin ⁃LeiActa Phys.⁃Chim.Sin .,2007,23(11):1667-1670Photonic crystals (PCs)were pro-duced from monodisperse ZnO col-loidal spheres by using a kind of sedimentation self ⁃assembly pro-cess.Preparation and Photoelectrochemical Properties of Bi 2MoO 6FilmsMAN Yi ZONG Rui ⁃LongZHU Yong ⁃FaActa Phys.⁃Chim.Sin .,2007,23(11):1671-1676The incident photon ⁃to ⁃current con-version efficiency (IPCE)of Bi 2MoO 6films can reach to 2.14%at 400nm.ACTAPHYSICO ⁃CHIMICA SINICA Vol.23No.11(23,2007)CONTENTSCommunicationStructure and Vibrational Spectra of Tert⁃butyl N⁃(2⁃bromocyclohex⁃2⁃enyl)⁃N⁃(2⁃furylmethyl)carbamateARSLAN Hakan DEMIRCAN AydınActa Phys.⁃Chim.Sin.,2007,23(11):1683-1690The molecular structure,conforma-tional stability and vibrational fre-quencies of tert-butyl N-(2-bromo-cyclohex-2-enyl)-N-(2-furylmethyl) carbamate were investigated by uti-lizing HF and DFT ab initio calcula-tions with6-31G∗and6-31G∗∗basis sets.Study on a Special Imine Adduct by Ab Initio and Atom⁃bond Electronegativity Equalization MethodsQI Shi⁃Fei WANG Xiao⁃NanYANG Zhong⁃ZhiActa Phys.⁃Chim.Sin.,2007,23(11):1714-1718The NMR chemical shifts of possi-ble products in the reaction of adenosine with N-acetyl-4-biphenyl nitrenium ion were calculated.The conclusion showed that the final add-uct in studied reaction included aze-pine adduct besides imine adduct.CeO2⁃Y2O3Washcoat and Supported Pd Catalysts for the Combustion of VolatileOrganic Compounds(VOCs)JIN Ling⁃Yun LU Ji⁃QingLUO Meng⁃Fei XIE Guan⁃QunHE MaiActa Phys.⁃Chim.Sin.,2007,23(11):1691-1695Supported by the CeO2⁃Y2O3wash-coat,the Pd/CeY catalyst exhibited fairly good catalytic activity and thermal stability for VOCs combus-tion.Fluorescence Quenching of Poly(arylether)Dendrimers by Metal Ions CHEN Jie ZHAO XinCHEN Jin⁃Ping LI YiActa Phys.⁃Chim.Sin.,2007,23(11):1696-1700The fluorescence of the dendrimers could be quenche d by Cu2+,Eu3+, and Tb3+.The crown ether core could enhance the interactions be-tween dendrimers and metal ions.Synthesis,Structure and Non⁃thermal Decomposition Kinetics of Scorpionates Oxovanadium Complexes with Carboxyl Acid LigandZHANG Bao⁃Li XING Yong⁃HengGE Mao⁃Fa SUN ZhengLI Zhang⁃Peng HAN JingNIU Shu⁃YunActa Phys.⁃Chim.Sin.,2007,23(11):1701-1706Two new oxovanadium complexes with poly(pyrazolyl)borate and carboxylic acid as ligands,VO[phCH2CH(NH2)COO][HB(pz)3]and VO(3,5⁃Me2pz)[HB(3,5⁃Me2pz)3](CH3COO),were synthesized and characterized by IR,elemental analyses,thermal analyses,and single crystal X⁃ray diffraction.Mechanism of Floating Self⁃assembly ofBinary Colloidal Particles at Water⁃Air Interface of SuspensionWANG Xiao⁃Dong YI Gui⁃YunDONG Peng CHEN Sheng⁃LiActa Phys.⁃Chim.Sin.,2007,23(11):1707-1713The mechanism of floating self⁃as-sembly of submicrometer monodis-persed polystyrene(PS)microspheresand SiO2particles at water⁃air inter-face ofsuspension.CZ⁃G3⁃CRElectroreduction Characteristics ofNitromethane in Ionic Liquid BMImBF4 MA Chun⁃An WANG Xiao⁃JuanLI Guo⁃Hua LI Mei⁃ChaoCHEN SongActa Phys.⁃Chim.Sin.,2007,23(11):1719-1722Cyclic voltammograms obtained in BMImBF4with(b)or without(a)0.4 mol·L-1nitromethane indicated that nitromethane was reduced irrever-sibly in BMImBF4.A DFT Study of Pd n(n=1-7)Clusters and Their Interactions with CH4MoleculeJIANG Yong CHU WeiJIANG Cheng⁃Fa WANG Yao⁃HongActa Phys.⁃Chim.Sin.,2007,23(11):1723-1727Increasing the total number of palladium atoms made the interaction of molecular⁃surface in Pd n CH4(n=1,3-7)clusters weak and approach to that on the bulk metal.Theoretical Study on the Behavior of CO Chemisorption on Low⁃index Platinum SurfacesREN Yun⁃Peng LU Yu⁃XiangLOU QiActa Phys.⁃Chim.Sin.,2007,23(11):1728-1732The chemisorption characters such as chemisorption energy,bond length, and population analysis of CO on Pt low-index surfaces were studied by Materials Studio based on DFT.The bonding mechanism was studied from the point of electron transfer view.Theoretical Study on the Even⁃OddOscillation of the Vibration Modes ofthe Silica NanowireXU Can ZHANG Xiao⁃FangCHEN Liang ZHU Li⁃FangZHANG Rong⁃JunActa Phys.⁃Chim.Sin.,2007,23(11):1733-1737It was found from the theoretical calculation that even⁃odd oscillation of IR and Raman was dependent on the polar group′s orientation with re-spect to nanoscale single line SiO2 structure.Performance of La⁃Ba Co⁃modified Alumina Prepared by Peptizing MethodZHANG Li⁃Juan DONG Wen⁃PingGUO Jia⁃Xiu YUAN Shu⁃HuaZHANG Lei GONG Mao⁃ChuCHEN Yao⁃QiangActa Phys.⁃Chim.Sin.,2007,23(11):1738-1742Because sample Ba鄄8had proper surface properties,the catalyst sup-ported on it exhibited excellent catalytic activity on C3H8.Autocatalytic Electroless Deposition ofPalladium onto p⁃Silicon(100)CHEN Yang JING Fen⁃NingYE Wei⁃Chun WANG Chun⁃MingActa Phys.⁃Chim.Sin.,2007,23(11):1743-1746Cyclic voltammetry was used to study electroless of deposition Pd on silicon in HF solution,and the re-sults showed that the Pd growth was a typical AED growth process.Influence of Electropolymerized Current Density on Polypyrrole Electrode of Lithium Ion CellsYAN Na ZHANG Cun⁃ZhongWU Feng LIU Jing⁃JingCHEN Jun⁃ZhengActa Phys.⁃Chim.Sin.,2007,23(11):1747-1752The better electrochemical charac-ters,higher degree of electrochemi-cal redox reversibility,more positive redox potential,and larger capacity of polyprrole samples were derived from suitable fabrication condition, that was,current density was changed from1mA·cm-2to5mA·cm-2.Thermal Performance Investigation of Core⁃Shell Cu/Al Micron⁃NanoComposites with WO3WANG Yi JIANG WeiCHENG Zhi⁃Peng ZHANG Xian⁃FengAN Chong⁃Wei SONG Xiao⁃LanLI Feng⁃ShengActa Phys.⁃Chim.Sin.,2007,23(11):1753-1759The thermal performance of Cu/Al⁃WO3was obviously better than that of Al⁃WO3,but depending strong-ly on equivalence ratio.Preparation and Characterization of Mesoporous Silicon Dioxide Doped withTungstenSU Zhao⁃Hui CHEN Qi⁃YuanLI Jie LIU Shi⁃JunActa Phys.⁃Chim.Sin.,2007,23(11):1760-1764When the amount of WO3was in-creased to60%,good pore struc-tures still remained in W⁃SiO2.NMR Studies on Interactions between Diperoxovanadate and Imidazole⁃likeLigandsYU Xian⁃Yong LI Guo⁃BinZHENG Bai⁃Shu HUANG Hao⁃WenYI Ping⁃Gui ZENG Yun⁃LongCHEN ZhongActa Phys.⁃Chim.Sin.,2007,23(11):1765-1770The interactions between bpV(Imi-Py)and imidazole-like ligands were studied by NMR.The reactivity of bpV(Imi-Py)with ligands was as fol-lows:imidazole≈4-methyl-imida-zole>2-methyl-imidazole>histidine.Preparation of Ni⁃mSA⁃mCS Bipolar Membrane and Its Application in Electro⁃generation of TGAHUANG Zhen⁃Xia CHEN Ri⁃Yao ZHENG Xi CHEN XiaoCHEN ZhenActa Phys.⁃Chim.Sin.,2007,23(11):1771-1775Ni⁃mSA⁃mCS bipolar membrane was prepared and used to generate TGA by electro⁃reduction ofDTDGA.Study on the Interaction between Two Identical Parallel Plates with IterationMethod in Functional TheoryZHOU Ming WANG Zheng⁃WuXU Zu⁃minActa Phys.⁃Chim.Sin.,2007,23(11):1776-1780The interaction energies between two identical parallel plates were calculated with functional theory and compared with those from other methods under general potential.Properties at the Ground State and ExcitedState of3⁃(3′⁃pyridyl)⁃6⁃aryl⁃1,2,4⁃triazolo [3,4⁃b]⁃1,3,4⁃thiadiazole DerivativesLI Hui⁃Xue TANG Hui⁃AnYANG Sheng XIAO TaiActa Phys.⁃Chim.Sin.,2007,23(11):1781-1786Thiadiazole derivatives absorptionand emission spectra were calculat-ed by TDDFT.The results indicatedthat the emission spectra were red⁃shifted from A,B to C.NotesElectrochromic Properties of Bismuth Oxide Thin Films Prepared by ReactivePulsed Laser DepositionCHU Yan⁃Qiu WU BoWU Liang SHUI QingFU Zheng⁃WenActa Phys.⁃Chim.Sin.,2007,23(11):1787-1791The electrochromic behaviors of the Bi2O3films were investigated by po-tential step and cyclic voltammetry coupled with in situ spectropho-tometer.Optical Properties of C50Fullerene and Its Two Dimers C100and C101LI Xiao⁃DongActa Phys.⁃Chim.Sin.,2007,23(11):1792-1796The third⁃order nonlinear optical polarizabilities of C100and C101had a marked increase compared with that of C50fullerene.Fabrication and Properties of TiO2 Nanotube Arrays Using Glycerol⁃DMSO⁃H2O ElectrolyteYIN Yu⁃Xin JIN Zheng⁃GuoHOU FengActa Phys.⁃Chim.Sin.,2007,23(11):1797-1802A convenient and novel route for TiO2nanotube arrayed with ad-justable pore size by anodization in glycerol-DMSO-H2O electrolyte.Photocatalytic Degradation of Light Fast Scarlet BBN and Surfactant BicomponentsZHANG Tian⁃Yong FAN Qiao⁃Fang ZENG Miao WANG ZhengXIA Wen⁃Juan CHI Li⁃FengActa Phys.⁃Chim.Sin.,2007,23(11):1803-1807The alkaline medium was favorable to the codegradation of BBN/CTAB. CTAB addition could improve the degradation ofBBN.Polarizabilities of Nanoparticles of SiO2 and ZrO2XU Wei⁃XingActa Phys.⁃Chim.Sin.,2007,23(11):1808-1810On the basis of hyper Rayleigh scat-tering measurement,it was confirmed that the polarizability of system de-pended on both particle size and concentration.DFT Study on the Unsaturated Germylenoid H2C‗GeLiClLI Wen⁃Zuo TAN Hai⁃NaXIAO Cui⁃Ping GONG Bao⁃An CHENG Jian⁃BoActa Phys.⁃Chim.Sin.,2007,23(11):1811-1814The structures and isomerizations of the unsaturated germylenoid H2C‗GeLiCl were studied at the B3LYP/ 6-311G(d,p)level of DFT method.Pharmacophore Model Construction ofp53鄄MDM2Binding Inhibitors SHENG Rong HU Chun⁃QiHUANG Wen⁃Hai HU Yong⁃ZhouActa Phys.⁃Chim.Sin.,2007,23(11):1815-1820The pharmacophore model of p53-MDM2binding inhibitors was es-tablished by the Catalyst software with different kinds of inhibitors.Influence of Electrode Materials on thePerformance of NPB/Alq3Organic Electroluminescent DevicesYU Jun⁃Sheng SUO FanLI Wei⁃Zhi LIN HuiLI Lu JIANG Ya⁃DongActa Phys.⁃Chim.Sin.,2007,23(11):1821-1826The impact of different electrode ma-terials on device performance,i.e., current⁃voltage relationship,luminance, and luminance efficiency were stud-ied.《物理化学学报》编辑委员会The Editorial Committee of Acta Physico⁃Chimica SinicaBoard)Zheng⁃Kai)田昭武(TIAN Zhao⁃Wu)⁃in⁃Chief)唐有祺(TANG You⁃Qi)副主任(Associate Editor⁃in⁃Chief)韩德刚(HAN De⁃Gang)张存浩(ZHANG Cun⁃Hao)楼南泉(LOU Nan⁃Quan)江元生(JIANG Yuan⁃Sheng)赵新生(ZHAO Xin⁃Sheng)委员(Members of the Executive Committee)包信和BAO Xin⁃He蔡文斌CAI Wen⁃Bin陈晓CHEN Xiao戴海龙DAI Hai⁃Lung房喻FANG Yu冯楚德FENG Chu⁃De付贤智FU Xian⁃Zhi高滋GAO Zi郭荣GUO Rong郭向云GUO Xiang⁃Yun韩布兴HAN Bu⁃Xing韩克利HAN Ke⁃Li韩世钧HAN Shi⁃Jun黄建滨HUANG Jian⁃Bin侯建国HOU Jian⁃Guo江龙JIANG Long来鲁华LAI Lu⁃Hua李浩然LI Hao⁃Ran黎乐民LI Le⁃Min李象远LI Xiang⁃Yuan李晓原LI Xiao⁃Yuan梁敬魁LIANG Jing⁃Kui刘鸣华LIU Ming⁃Hua刘若庄LIU Ruo⁃Zhuang刘世林LIU Shi⁃Lin缪方明MIAO Fang⁃Ming庞代文PANG Dai⁃Wen彭少逸PENG Shao⁃Yi沈伟国SHEN Wei⁃Guo孙世刚SUN Shi⁃Gang万立骏WAN Li⁃Jun汪汉卿WANG Han⁃Qing王振纲WANG Zhen⁃Gang吴国是WU Guo⁃Shi吴凯WU Kai夏春谷XIA Chun⁃Gu夏兴华XIA Xing⁃Hua肖丰收XIAO Feng⁃Shou谢晓亮XIE Xiao⁃Liang薛其坤XUE Qi⁃Kun杨伟涛YANG Wei⁃Tao张建平ZHANG Jian⁃Ping赵学庄ZHAO Xue⁃Zhuang郑兰荪ZHENG Lan⁃Sun周家驹ZHOU Jia⁃Ju周鸣飞ZHOU Ming⁃Fei朱晓阳ZHU Xiao⁃Yang朱永法ZHU Yong⁃Fa物理化学学报(WULI HUAXUE XUEBAO)第23卷第11期(2007.11) ACTA PHYSICO⁃CHIMICA SINICA,Vol.23,No.11(November,2007)月刊(1985年创刊)Monthly(First volume appeared in1985)定价:18.00元2007年11月15日出版国内邮发代号:82⁃163地址北京大学化学楼(邮政编码100871)(Wuli Huaxue Xuebao)电话(010)62751724,(010)62756388Address:Chemistry Building传真(010)62756388Peking University主编唐有祺Beijing100871,China主管单位中国科学技术协会Tel:+8610⁃62751724印刷者北京晨光印刷厂Fax:+8610⁃62756388国内总发行北京报刊发行局Chief Editor:TANG You⁃Qi国内订购国外发行广告许可证号全国各邮局中国国际图书贸易总公司Code No1443⁃MO京海工商广字第8110号Printer:Beijing Chenguang Printing HouseDistributor:China International Book TradingCorporation(Code No1443⁃MO) E⁃mail:whxb@ Website 编辑出版者北京大学化学与分子工程学院Editor and Publisher:Editorial Board of《物理化学学报》编辑部Acta Physico⁃Chimica Sinica《物理化学学报》(月刊)欢迎订阅、欢迎投稿、欢迎刊登广告《物理化学学报》是由中国科协主管,中国化学会主办,北京大学化学与分子工程学院物理化学学报编辑部编辑出版的基础学科类学术刊物.设有“通讯”、“研究论文”、“研究简报”和“综述”等栏目,报道物理化学学科及交叉学科的基础研究及应用基础研究所取得的创新成果.中国科学院院士唐有祺先生担任主编;编委会中有13位中国科学院院士,6位海外学者.—第三届国家期刊奖百种重点期刊奖.读者2004年,《物理化学学报》获得国内期刊界最高奖——普遍认为《物理化学学报》具有极高的学术价值和收藏价值.《物理化学学报》已被美国《科学引文索引》(SCI)网络版、美国《化学文献》(CA)、日本《科技文献速报》、俄罗斯《文献杂志》(AJ)、中国科协和国家自然基金委主办的《中国学术期刊文摘》、中国科学技术部万方数据网络中心的《中国科技论文与引文数据库(CSTPCD)》、中国科学院文献情报中心的《中国科学引文数据库》、中国生物学文献数据中心的《中国生物文摘》等国内外多种著名检索刊物和文献数据库摘引和收录.《物理化学学报》现为月刊,大16开本.2008年订价22.00元/册,全年订价264.00元.国内邮发代号82⁃163,欢迎国内读者到当地邮局订阅,国外读者可通过中国国际图书贸易总公司订阅(Code No1443⁃MO).若通过邮局订阅有困难或错过订阅,请直接与编辑部联系订阅.欢迎广大科技工作者、科研单位、高等院校、图书馆订阅.物理化学学报目前已获得广告经营许可权,可刊登与化学学科及相关领域有关的设备、仪器、材料及产品的广告.有意刊登的厂家、企业请与我们联系.通讯地址:北京大学化学楼W206《物理化学学报》编辑部邮编:100871服务热线:+8610⁃62751724传真:+8610⁃62756388Email:whxb@网址:/《物理化学学报》编辑部。