The study of bonding in pyramidanes [(Me₃Si)₄C₄]E (E = Ge, Sn, Pb) by optical (Raman, UV-vis) spectroscopy and quantum-chemical methods

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• 作者：Larissa A. Leites^a ; ^{buklei@ineos.ac.ru} ; Rinat R. Aysin^a ; Sergey S. Bukalov^a ; Vladimir Ya. Lee^b ; ; Hakura Sugasawa^b ; Akira Sekiguchi^b
• 关键词：Pyramidanes ; Electronic structure ; Raman spectra ; QTAIM ; NICS
• 刊名：Journal of Molecular Structure
• 出版年：2017
• 出版时间：15 February 2017
• 年：2017
• 卷：1130
• 期：Complete
• 页码：775-780
• 全文大小：464 K
• 卷排序：1130

文摘

Raman intensity data evidence covalent nature of the EC bonds. QTAIM data point to their covalent nature with a high degree of polarity. Experimental UV–vis spectra were interpreted by means of TD–DFT calculations. The refined NICS criteria suggest three-dimensional aromaticity of the pyramidanes.