Millimeter- and submillimeter-wave spectroscopy of dibridged Si 2H2 isotbpomers: Experimental and theoretical structure

M. Bogey, H. Bolvin, M. Cordonnier, C. Demuynck, J. L. Destombes, A. G. Császár

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49 Citations (Scopus)

Abstract

Various isotopomers of the free dibridged disilyne molecule, Si(H 2)Si, have been observed by millimeter- and submillimeter-wave spectroscopy in a silane-argon plasma produced by an abnormal electric discharge. In order to make measurement of the weak absorption lines possible a novel computer processing treatment has been developed. From the molecular constants measured for 28Si(H2)28Si, 29Si(H2)28Si, 30Si(H 2)28Si, and 28Si(D2)28Si an accurate substitution structure has been deduced with rs(Si-Si)=2. 2154 Å, rs(Si-H)=1.6680 Å, and ∠(HSiSiH)=104.22°. The spectrum analysis and the structure determination have been aided by correlated level ab initio calculations resulting in accurate estimates of the equilibrium geometry and rotational constants, the cubic force field, the quartic and sextic centrifugal distortion constants, and the inversion barrier height of dibridged disilyne. The barrier to inversion of the "butterfly-type" Si(H2)Si molecule must be relatively high as no splitting due to inversion could be experimentally observed.

Original languageEnglish
Pages (from-to)8614-8624
Number of pages11
JournalThe Journal of Chemical Physics
Volume100
Issue number12
DOIs
Publication statusPublished - Jan 1 1994

ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

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