Journal of East China Normal University(Natural Sc ›› 2007, Vol. 2007 ›› Issue (6): 56-61,8.

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Structural Reexamination and Ab-initio Calculation on the Silver(I) Perchlorate-Benzene Complex(Chinese)

MA Hui , DONG Ling-ling , LIU Ying, WU Liang-ping   

  1. Department of Chemistry, East China Normal University, Shanghai200062, China
  • Received:2006-11-01 Revised:2006-12-01 Online:2007-11-25 Published:2007-11-25
  • Contact: WU Liang-ping

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Abstract: The silver(I) perchlorate-benzene complex,AgClO4•C6H6,was synthesized and structurally reexamined by X-ray crystallography at low temperature.The compound crystallized in the orthorhombic space group Cmcm（#63）, with unit cell dimensions of a=8.154 0(6)×10-10 m， b=7.918(4)×10-10 m， c=11.717(1)×10-10 m，V=756.4(4)×10-30 m3,Z=4.The study revealed details of the structure not observed by previous authors in respect of the distortions of the benzene molecule and the coordination environment of the metal ion.The data are consistent with the results obtained from ab-initio calculation of the complex.

Key words: crystal structure, ab-initio calculation, silver perchlorate-benzene complex, crystal structure, ab-initio calculation

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