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The vibronic spectral behaviour of molecules: A theoretical study of the T1→S0 phosphorescence of isomeric phenyl naphthalenes

✍ Scribed by Klaus Gustav; Michael Storch

Publisher
Elsevier Science
Year
1989
Tongue
English
Weight
237 KB
Volume
164
Category
Article
ISSN
0009-2614

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✦ Synopsis

Theoretical vibronic T,+Sc "line" spectra of the isomeric phenylnaphthalenes, calculated within the Condon approach on the basis of completely optimized So and T, molecular geometries, are presented and compared with experimental phosphorescence spectra. The theory-experiment comparison is satisfactory after taking into account the Dushinsky transformation, An analysis of the vibrational modes responsible for the spectral structure is given.

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