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Synthesis and Crystal Structure of (E)-[1-Ferrocenyl-2-(4-Chlorophenyl) ethylene]
引用本文:QIAN Ying, SUN Yue-Ming, LIU Ju-Zheng(Department of Chemistry,Southeast University,Nanjing,210018)CHEN Jian, HU Chun-Hua ,ZHENG Pei-Ju(Research Center of Analysis and Measurement,Fudan University,Shanghai,2OO433). Synthesis and Crystal Structure of (E)-[1-Ferrocenyl-2-(4-Chlorophenyl) ethylene][J]. 结构化学, 1997, 0(4)
作者姓名:QIAN Ying   SUN Yue-Ming   LIU Ju-Zheng(Department of Chemistry  Southeast University  Nanjing  210018)CHEN Jian   HU Chun-Hua   ZHENG Pei-Ju(Research Center of Analysis and Measurement  Fudan University  Shanghai  2OO433)
作者单位:QIAN Ying; SUN Yue-Ming; LIU Ju-Zheng(Department of Chemistry,Southeast University,Nanjing,210018)CHEN Jian; HU Chun-Hua ;ZHENG Pei-Ju(Research Center of Analysis and Measurement,Fudan University,Shanghai,2OO433)
基金项目:国家教季博士点基金,江苏省科委基金
摘    要:1INTRoDUCTIoNCurrently,thereisaconsiderableinterestintheinvestigationoforganicandorganometallicmaterialsshowinglargenonlinearopticalresponse.Theirpotentialusehasbeenresearchedindeviceapplicationswhicharerelatedtothetelecommuni-cations,opticalcomputingandopticalinformationprocessing"2i.Onamicroscopiclevel,oneofthemajorphysicalparameterstodecidethenonlinearopticalpropertiesofmaterialsisthemolecularhyperpolarizability,avaluedeterminedbyelectronicandgeometricstructureofmolecule.Thetitlecompoun…


Synthesis and Crystal Structure of (E)-[1-Ferrocenyl-2-(4-Chlorophenyl) ethylene]
QIAN Ying, SUN Yue-Ming, LIU Ju-Zheng. Synthesis and Crystal Structure of (E)-[1-Ferrocenyl-2-(4-Chlorophenyl) ethylene][J]. Chinese Journal of Structural Chemistry, 1997, 0(4)
Authors:QIAN Ying   SUN Yue-Ming   LIU Ju-Zheng
Abstract:The single crystal structure of the donor-acceptor ferrocenyl derivativeC18H15ClFe (Mr = 322. 62 ) has been determined, belonging to orthorhombic crystalsystem, space group P212121 with lattice parameters a= 11. 307 (2), b= 8. 471 (2 ), c=15. 427(3) A, V= 1477. 7(9) A3, Z=4, D.= 1. 45 g. cm-3, λ(MoKα) =0. 71073A,μ= 11. 9 cm-1, F(000) = 664. The final R value for 1534 observed [I>3σ(I)] reflec-tions is 0. 060. The configuration of the C =C double bond is trans. The C5H4CH =CHC6H4Cl fragrnent is almost planar. The rings of ferrocene are almost in the eclipsedpositions with each other.
Keywords:ferrocenyl derivative   crystal structure   donor-acceptor compound   transconfiguration
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