The molecular structure of p-bis(trimethylsilyl)-benzene from gas phase electron diffraction

Béla Rozsondai, Borbála Zelei, I. Hargittai

Research output: Contribution to journalArticle

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Abstract

Nearly regular tetrahedral silicon bond configuration and a considerably distorted ring characterize the p-bis(trimethylsilyl)benzene molecular geometry according to an electron diffraction study. The SiCmethyl bond is longer than the SiCphenyl bond, in agreement with expectation but contrary to an X-ray diffraction determination. The extent of ring deformation is consistent with the electropositive character of the trimethylsilyl substituent and with the structural variations in other para-disubstituted benzene derivatives. The electron diffraction data are consistent with either free rotation around the SiCphenyl bonds or with a rotamer deviating by about 15° from the eclipsed form. The following bond lengths (rg, pm) and bond angles (°) have been determined with parenthesized estimated total errors: (CC)mean 140.8(3), (Cipso)(CorthoCmeta) 1.6(7), (SiC)mean 188.0(4), (SiCmethyl)(SiCphenyl) 3.3(7), (CH)methyl 111.3(3), CCipsoC 115.7(6), and CphenylSiCmethyl 109.2(4).

Original languageEnglish
Pages (from-to)187-196
Number of pages10
JournalJournal of Molecular Structure
Volume95
Issue numberC
DOIs
Publication statusPublished - 1982

Fingerprint

Benzene
Molecular Structure
Electron diffraction
Molecular structure
molecular structure
electron diffraction
Gases
Benzene Derivatives
benzene
Electrons
vapor phases
rings
Bond length
Silicon
X-Ray Diffraction
methylidyne
Derivatives
X ray diffraction
Geometry
silicon

ASJC Scopus subject areas

  • Structural Biology
  • Organic Chemistry
  • Physical and Theoretical Chemistry
  • Spectroscopy
  • Materials Science (miscellaneous)
  • Atomic and Molecular Physics, and Optics

Cite this

The molecular structure of p-bis(trimethylsilyl)-benzene from gas phase electron diffraction. / Rozsondai, Béla; Zelei, Borbála; Hargittai, I.

In: Journal of Molecular Structure, Vol. 95, No. C, 1982, p. 187-196.

Research output: Contribution to journalArticle

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abstract = "Nearly regular tetrahedral silicon bond configuration and a considerably distorted ring characterize the p-bis(trimethylsilyl)benzene molecular geometry according to an electron diffraction study. The SiCmethyl bond is longer than the SiCphenyl bond, in agreement with expectation but contrary to an X-ray diffraction determination. The extent of ring deformation is consistent with the electropositive character of the trimethylsilyl substituent and with the structural variations in other para-disubstituted benzene derivatives. The electron diffraction data are consistent with either free rotation around the SiCphenyl bonds or with a rotamer deviating by about 15° from the eclipsed form. The following bond lengths (rg, pm) and bond angles (°) have been determined with parenthesized estimated total errors: (CC)mean 140.8(3), (Cipso)(CorthoCmeta) 1.6(7), (SiC)mean 188.0(4), (SiCmethyl)(SiCphenyl) 3.3(7), (CH)methyl 111.3(3), CCipsoC 115.7(6), and CphenylSiCmethyl 109.2(4).",
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N2 - Nearly regular tetrahedral silicon bond configuration and a considerably distorted ring characterize the p-bis(trimethylsilyl)benzene molecular geometry according to an electron diffraction study. The SiCmethyl bond is longer than the SiCphenyl bond, in agreement with expectation but contrary to an X-ray diffraction determination. The extent of ring deformation is consistent with the electropositive character of the trimethylsilyl substituent and with the structural variations in other para-disubstituted benzene derivatives. The electron diffraction data are consistent with either free rotation around the SiCphenyl bonds or with a rotamer deviating by about 15° from the eclipsed form. The following bond lengths (rg, pm) and bond angles (°) have been determined with parenthesized estimated total errors: (CC)mean 140.8(3), (Cipso)(CorthoCmeta) 1.6(7), (SiC)mean 188.0(4), (SiCmethyl)(SiCphenyl) 3.3(7), (CH)methyl 111.3(3), CCipsoC 115.7(6), and CphenylSiCmethyl 109.2(4).

AB - Nearly regular tetrahedral silicon bond configuration and a considerably distorted ring characterize the p-bis(trimethylsilyl)benzene molecular geometry according to an electron diffraction study. The SiCmethyl bond is longer than the SiCphenyl bond, in agreement with expectation but contrary to an X-ray diffraction determination. The extent of ring deformation is consistent with the electropositive character of the trimethylsilyl substituent and with the structural variations in other para-disubstituted benzene derivatives. The electron diffraction data are consistent with either free rotation around the SiCphenyl bonds or with a rotamer deviating by about 15° from the eclipsed form. The following bond lengths (rg, pm) and bond angles (°) have been determined with parenthesized estimated total errors: (CC)mean 140.8(3), (Cipso)(CorthoCmeta) 1.6(7), (SiC)mean 188.0(4), (SiCmethyl)(SiCphenyl) 3.3(7), (CH)methyl 111.3(3), CCipsoC 115.7(6), and CphenylSiCmethyl 109.2(4).

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