The Raman, ultraviolet, and infrared spectra and the JSi=C NMR coupling constant of the stable silence (t-BuMe2Si)(Me3Si)Si=2-Ad. Manifestations of the Si=C double bond

Michael Bendikov, Yitzhak Apeloig, Sergey Bukalov, Irina Garbuzova, Larissa Leites

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The UV, preresonance Raman, and IR spectra of the stable silene t-BuMe2Si(Me3Si)Si=2-Ad (1) have been measured as well as its JSi=C NMR coupling constant. The normal modes involving the v(Si=C) stretching coordinate were identified for the first time for a stable silene. The experimental data and computations of potential energy distribution and mode eigenvectors show that there is no single vibrational normal mode which can be assigned as v(Si=C). Raman intensity enhancement on approaching resonance strongly supports the conclusion that there are five lines in the region 1000-1370 cm-1 which include significant contribution from the v(Si=C) stretching coordinate. Both the Si=C force constant and the JSi=C NMR coupling constant (as well as the Si=C bond length) indicate that the Si=C bond order is smaller in 1 than that in simpler silenes of the type R2Si=CH2 (R = H, Me).

Original languageEnglish
Pages (from-to)4880-4885
Number of pages6
JournalJournal of Physical Chemistry A
Issue number19
Publication statusPublished - May 16 2002


ASJC Scopus subject areas

  • Physical and Theoretical Chemistry

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