CORRELATION OF INFRARED SPECTRAL DATA WITH MOLECULAR ORBITAL CALCULATIONS FOR $CH_{3}CN$, $CH_{3}CNO$ AND $CH_{3}CNBF_{3}$

Thumbnail Image

Files

1972-EE-05.jpg (58.31 KB)

Date

1972

Authors

Journal Title

Journal ISSN

Volume Title

Publisher

Ohio State University

Research Projects

Organizational Units

Journal Issue

Abstract

Molecular orbital calculations using both the Extended Hu¨ckel method of Hoffmann and the CNDO method of Pople have been made for a series of molecules containing the C≡N group. The results correlate well with the C≡N frequency observed in the infrared spectra of the compounds studied.

Description

Author Institution: Department of Chemistry, West Virginia University

Keywords

Citation

URI

http://hdl.handle.net/1811/8983

Collections

Abstracts of OSU International Symposium on Molecular Spectroscopy 1970-1979