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Conformational dependence of electronic spectra in the nitroxide series: a MCSCF/CI study

โœ Scribed by A. Ricca; M. Hanus; Y. Ellinger

Publisher
Elsevier Science
Year
1995
Tongue
English
Weight
437 KB
Volume
232
Category
Article
ISSN
0009-2614

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โœฆ Synopsis

We report a systematic study of the relation between the electronic spectra of nitroxide free radicals and their deviation from planarity, taking H2NO as a model compound. Using a MCSCF/CI treatment specifically designed to account for the characteristics of the nitroxide group, we have shown that the bathochromic shift of the n-~t* electronic transition is a sensitive signature of the geometry of these radicals.

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