Issue 7, 1984

Pseudorotation pathway and quadratic force field for PF5, by ab initio calculations

Abstract

Extensive ab initio calculations have yielded a detailed mechanism for Berry pseudorotation in PF5, for which a barrier of 16± 2 kj mol–1 is obtained, and a complete quadratic force field which gives an excellent account of observed vibrational frequencies.

Article information

Article type
Paper

J. Chem. Soc., Chem. Commun., 1984, 401-402

Pseudorotation pathway and quadratic force field for PF5, by ab initio calculations

C. J. Marsden, J. Chem. Soc., Chem. Commun., 1984, 401 DOI: 10.1039/C39840000401

To request permission to reproduce material from this article, please go to the Copyright Clearance Center request page.

If you are an author contributing to an RSC publication, you do not need to request permission provided correct acknowledgement is given.

If you are the author of this article, you do not need to request permission to reproduce figures and diagrams provided correct acknowledgement is given. If you want to reproduce the whole article in a third-party publication (excluding your thesis/dissertation for which permission is not required) please go to the Copyright Clearance Center request page.

Read more about how to correctly acknowledge RSC content.

Spotlight

Advertisements