An SCF calculation of triphenylphosphine
- 1 January 1967
- journal article
- research article
- Published by Taylor & Francis in Molecular Physics
- Vol. 13 (2) , 165-174
- https://doi.org/10.1080/00268976700100971
Abstract
A modified Mataga SCF approach is applied to triphenylphosphine. The phenyl rings are simultaneously depressed and then rotated in 5° increments. The results obtained are compared with experimental measurements on triphenylphosphine. An approximate pi inversion barrier of 1·36 kcal/mole is obtained.Keywords
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