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

Research output: Contribution to journalArticle

6 Citations (Scopus)

Abstract

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
Volume106
Issue number19
DOIs
Publication statusPublished - May 16 2002

Fingerprint

ultraviolet spectra
Stretching
infrared spectra
Nuclear magnetic resonance
Raman spectra
Infrared radiation
nuclear magnetic resonance
Bond length
Potential energy
Eigenvalues and eigenfunctions
energy distribution
eigenvectors
potential energy
augmentation

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry

Cite this

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. / Bendikov, Michael; Apeloig, Yitzhak; Bukalov, Sergey; Garbuzova, Irina; Leites, Larissa.

In: Journal of Physical Chemistry A, Vol. 106, No. 19, 16.05.2002, p. 4880-4885.

Research output: Contribution to journalArticle

@article{2d2a8128a5534f4b80313b24d9264f35,
title = "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",
abstract = "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).",
author = "Michael Bendikov and Yitzhak Apeloig and Sergey Bukalov and Irina Garbuzova and Larissa Leites",
year = "2002",
month = "5",
day = "16",
doi = "10.1021/jp014158x",
language = "English",
volume = "106",
pages = "4880--4885",
journal = "Journal of Physical Chemistry A",
issn = "1089-5639",
publisher = "American Chemical Society",
number = "19",

}

TY - JOUR

T1 - 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

AU - Bendikov, Michael

AU - Apeloig, Yitzhak

AU - Bukalov, Sergey

AU - Garbuzova, Irina

AU - Leites, Larissa

PY - 2002/5/16

Y1 - 2002/5/16

N2 - 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).

AB - 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).

UR - http://www.scopus.com/inward/record.url?scp=0037118416&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=0037118416&partnerID=8YFLogxK

U2 - 10.1021/jp014158x

DO - 10.1021/jp014158x

M3 - Article

VL - 106

SP - 4880

EP - 4885

JO - Journal of Physical Chemistry A

JF - Journal of Physical Chemistry A

SN - 1089-5639

IS - 19

ER -