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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)
Publication Information
Korean Journal of Crystallography / v.19, no.1, 2008 , pp. 1-6 More about this Journal
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.
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