Conformational landscape of small organosilicon compounds from the combined use of gas electron diffraction, IR and Raman spectroscopies and quantum chemical calculations: diethyldichlorosilane

Manuel Montejo, Derek A. Wann, Pilar G. Rodriguez Ortega, Heather E. Robertson, Fernando Marquez, David W. H. Rankin, Juan Jesus Lopez Gonzalez

Research output: Contribution to journalArticlepeer-review

Abstract

A conformational study of diethyldichlorosilane and the elucidation of the gas-phase molecular structures of its four conformers have been performed using the combined approach of gas-phase electron diffraction and computational techniques. Moreover, the Raman spectrum of the liquid and the IR spectra of the gas and liquid phases have been recorded and thoroughly analyzed on the basis of the scaled quantum-mechanical force field methodology. The results of the vibrational assignment have given spectroscopic evidence of the presence of the different conformers in the samples.

Original languageEnglish
Pages (from-to)1323-1330
Number of pages8
JournalJournal of Raman Spectroscopy
Volume41
Issue number10
DOIs
Publication statusPublished - 2010

Keywords

  • diethyldichlorosilane
  • gas-phase electron diffraction
  • IR spectra
  • Raman spectra
  • density functional theory
  • ab initio calculations
  • scaled quantum-mechanical force field methodology
  • AB-INITIO
  • MOLECULAR-STRUCTURE
  • FORCE-FIELDS
  • CRYSTALLINE PHASES
  • MOLVIB

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