Issue 12, 1971

The barrier to internal rotation in monomethylphosphine: an ab initio LCAO–MO–SCF study

Abstract

Using two relatively small basis sets, non-empirical self-consistent-field calculations on three conformations of monomethylphosphine show that the relative stability of the three forms is as follows: staggered > semi-eclipsed > eclipsed; the calculated energy barrier between the semi-eclipsed and eclipsed forms agrees with the experimental value.

Article information

Article type
Paper

J. Chem. Soc. D, 1971, 611-612

The barrier to internal rotation in monomethylphosphine: an ab initio LCAO–MO–SCF study

I. Absar and J. R. van Wazer, J. Chem. Soc. D, 1971, 611 DOI: 10.1039/C29710000611

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