Structures and energetics of axial and equatorial 1-methyl-1- silacyclohexane

Laura B. Favero, Biagio Velino, Walther Caminati*, Ingvar Árnason, Ágúst Kvaran

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

29 Citations (Scopus)

Abstract

The structural differences and the relative energies for the axial and equatorial forms of 1-methyl-1-silacyclohexane have been obtained from the rotational spectra of the normal, 29Si, and all 13C isotopologues of the axial and equatorial forms, observed by molecular beam Fourier transform microwave spectroscopy. The two species appear to have the same energy, within uncertainty limits, ΔE = 0.0 ± 0.2 kcal/mol. Structural parameters (r0 and rs) are given for the two forms. The main structural differences are discussed. Potential barriers for the methyl group internal rotations (V3) have been determined for both conformers to be 1.26(1) and 1.48(2) kcal/mol for the axial and equatorial species, respectively.

Original languageEnglish
Pages (from-to)3813-3816
Number of pages4
JournalOrganometallics
Volume25
Issue number16
DOIs
Publication statusPublished - 31 Jul 2006

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