INTENSITY ENHANCEMENTS IN THE IR-SPECTRA OF ORGANIC RADICAL IONS - A THEORETICAL-STUDY

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Title

INTENSITY ENHANCEMENTS IN THE IR-SPECTRA OF ORGANIC RADICAL IONS - A THEORETICAL-STUDY

Content partner

The University of Auckland Library

Collection

ResearchSpace@Auckland

Description

The IR spectra of the methyl viologen dication and monocation have been calculated by molecular orbital (MO) methods in order to account for the considerable simplification observed in the IR spectra of viologens upon one-electron reduction to the corresponding radical monocations. Similar calculations on p-dicyanobenzene and its radical monoanion were carried out for comparison. The calculations show that a small number of fundamental modes of the reduced species show unusually large intensi...

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Format

Research paper

Research format

Journal article

Date created

1993-08-21

Creator

BRIENNE, SHR / Boyd, Peter / SCHWERDTFEGER, P / Bowmaker, Graham / Cooney, Ralph

URL

http://hdl.handle.net/2292/7910

Related subjects

Science & Technology / Physical Sciences / Chemistry, Physical / Physics, Atomic, Molecular & Chemical / Chemistry / Physics / MOLECULAR-STRUCTURE / INFRARED-ABSORPTION / BIPHENYL / SPECTROSCOPY / ROTATION / CRYSTAL / STATE

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