苯甲醛縮苯胺衍生物的合成與晶體化學研究.pdf

1、蘇州大學碩士學位論文苯甲醛縮苯胺衍生物的合成與晶體化學研究姓名：彭海靜申請學位級別：碩士專業(yè)：物理化學指導(dǎo)教師：張德純2001.5.1塑矍苧!壁塑苧墮!!竺塑墮魚墮皇曼竺垡堂塹塞AbstractAnumberofbenzylideneanilinederivativeshavebeensynthesizedmidtheirstructureswereconfnmedbyIRspectroscopedata，elementalanalys

2、isSonleoftheircrystalstructuresaredeterminedbyX—rayanalysisafterthesinglecrystalsweregrownbyslowevaporationatroomtemperatureSomecrystalstructuredataareselectedfromCSD(TheCambridgeStructuralDatabase)Asystematiccalculation

3、，analysisandcomparisonfortheselecteddataandthedeterminedcrystalstructuredatawasdoneInthisthesis，asystematiccrystalandquantumchemistrystudyoftheeffectsofmoleculestructureonproperties，whichincludeplanarityofmolecule，dipole

4、momentandNLOproperties，WaScarriedoutThewayofthecrystallizationofthecompoundsisalsodiscussedIfacrystalwithgoodSHGpropertyishopedtoget，themoleculemustpossessalargesecond—orderhyperpolarizability(B)andalsomustcrystallizeina

5、non—centrosymmetricstructureTheresultsofthestudyshow，thatDcanbeenhancedbybettermolecularplanarity，byselectingstrongacceptorsonCphenylandbyselectingdonorswhichhasasmallgroundstatedipolemomentandalargeexcitatedstatedipolem

6、omentonNphenyl；andthatmoleculescanbecrystallizedinanoncentrosymmetricstructureinalargeprobabilitythroughforminghydrogenbondsnetworkHatJingPengDirectedbyDe—ChunZhangKeywords：benzylidene—anilinederivative，crystalchemistry，