Korean Journal of Crystallography (한국결정학회지)

Korean Crystallographic Association (한국결정학회)
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A Conformational Comparison of 1,2-Bis(phenylthio)-o-carborane, $C_{14}H_{20}B_{10}S_2$, by X-Ray Diffraction Method and Molecular Orbital Calculation

  • Song, Kyu-Ho (Department of Material Chemistry, Korea University) ;
  • Ko, Jae-Jung (Department of Material Chemistry, Korea University) ;
  • Kang, Sang-Ook (Department of Material Chemistry, Korea University) ;
  • Han, Won-Sik (Department of Material Chemistry, Korea University) ;
  • Kwon, Soon-Nam (Department of Material Chemistry, Korea University) ;
  • Suh, Il-Hwan (Department of Material Chemistry, Korea University)
  • Published : 2008.06.30
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Abstract

The reaction of dilithio-o-carborane with dipenyl disulfide produces a phenyl thiolated o-carborane and it has been confirmed that there is conformational similarity between the structure of the compound elucidated by X-ray crystallography and that calculated by ab initio and density functional theory.

Dilithio-o-carborane과 dipenyl disulfide를 반응(反應)하여 a phenyl thiolated o-carborane compound가 얻어 졌으며 X-ray crystallography로 밝혀진 이 compound의 구조(構造)와 ab initio 및 density functional theory로 계산(計算)한 이 compound의 구조문(構造間)에 conformational similarity가 있음을 확인(確認)하였다.

Keywords

References

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