Jump to main content
Jump to site search

Issue 14, 1997
Previous Article Next Article

1,2-Di-tert-butyltetrafluorodisilane,ButSiF2SiF2But: vibrationalspectra and molecular structure in the gas phase by electron diffractionand ab initio calculations

Abstract

The molecular structure of 1,2-di-tert-butyltetrafluorodisilane, Bu t SiF 2 SiF 2 Bu t , has been determined in the gas phase by electron diffraction (GED) and ab initio molecular orbital calculations. Together with infrared and Raman studies, GED shows that only a single conformer (anti, C 2h symmetry) is present in the gas phase. From normal coordinate analysis, the Si–Si stretching force constant is 179 N m -1 , within the range previously observed for other related compounds. Important structural parameters (r a ) are: Si–Si 234.6(6), Si–C 187.2(3), Si–F 160.0(2), C–C 153.7(3), C–H 113.5(2) pm, Si–Si–C 114.6(7), Si–Si–F 108.7(3) and F–Si–F 107(2)°. This geometry is supported by theoretical predictions obtained at the 6-31G*/SCF level.

Back to tab navigation

Article type: Paper
DOI: 10.1039/A702185B
Citation: J. Chem. Soc., Dalton Trans., 1997,0, 2475-2482

  •   Request permissions

    1,2-Di-tert-butyltetrafluorodisilane, ButSiF2SiF2But: vibrational spectra and molecular structure in the gas phase by electron diffraction and ab initio calculations

    B. A. Smart, H. E. Robertson, N. W. Mitzel, D. W. H. Rankin, R. Zink and K. Hassler, J. Chem. Soc., Dalton Trans., 1997, 0, 2475
    DOI: 10.1039/A702185B

Search articles by author

Spotlight

Advertisements