L. Favero, B. Velino, W. Caminati
Jun 28, 2006
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Journal
Organometallics
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, 29 Si, and all 13 C 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 (r 0 and r s ) are given for the two forms. The main structural differences are discussed. Potential barriers for the methyl group internal rotations (V 3 ) have been determined for both conformers to be 1.26(1) and 1.48(2) kcal/mol for the axial and equatorial species, respectively.