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The Raman, Ultraviolet, and Infrared Spectra and the JSidC NMR Coupling Constant of the Stable Silene (t-BuMe2Si)(Me3Si)Sid2-Ad. Manifestations of the SidC Double Bond
 

Summary: The Raman, Ultraviolet, and Infrared Spectra and the JSidC NMR Coupling Constant of the
Stable Silene (t-BuMe2Si)(Me3Si)Sid2-Ad. Manifestations of the SidC Double Bond
Michael Bendikov and Yitzhak Apeloig*,
Department of Chemistry and the Lise Meitner-MinerVa Center for Computational Quantum Chemistry,
Technion-Israel Institute of Technology, Haifa 32000, Israel
Sergey Bukalov, Irina Garbuzova, and Larissa Leites*,
Scientifical and Technical Center on Raman Spectroscopy, Institute of Organoelement Compounds,
Russian Academy of Sciences, 28 VaViloVa Street, Moscow 117813, Russia
ReceiVed: NoVember 12, 2001; In Final Form: February 20, 2002
The UV, preresonance Raman, and IR spectra of the stable silene t-BuMe2Si(Me3Si)Sid2-Ad (1) have been
measured as well as its JSidC NMR coupling constant. The normal modes involving the (SidC) 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 (SidC). 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 (SidC) stretching coordinate. Both the SidC force constant and the JSidC NMR coupling constant
(as well as the SidC bond length) indicate that the SidC bond order is smaller in 1 than that in simpler
silenes of the type R2SidCH2 (R ) H, Me).
Introduction

  

Source: Apeloig, Yitzhak - Department of Chemistry, Technion, Israel Institute of Technology

 

Collections: Chemistry