Issue 15, 1989

Theoretical confirmation of the e.s.r. spectrum of the ethane cation

Abstract

A C2h structure of the ethane cation, with a ‘normal’ C–C bond length, has been found as a minimum in the MP2/6-31G* potential energy surface, the isotropic hyperfine coupling constants for this structure, calculated using an accurate configuration interaction method, being in good agreement with the experimental e.s.r. spectral data reported by lwasaki et al.

Article information

Article type
Paper

J. Chem. Soc., Chem. Commun., 1989, 1031-1033

Theoretical confirmation of the e.s.r. spectrum of the ethane cation

S. Lunell and M. Huang, J. Chem. Soc., Chem. Commun., 1989, 1031 DOI: 10.1039/C39890001031

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