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Medium effects of the lowest rydberg transitions of saturated amines

Authors :
Gottfried Köhler
Source :
Journal of Molecular Structure. 114:191-194
Publication Year :
1984
Publisher :
Elsevier BV, 1984.

Abstract

For the purpose of modelling medium effects on the lowest Rydberg transitions of amines, ab initio calculations on excited clusters of ammonia and helium were performed. As the excited state surface is strongly repulsive, shifts of the transitions to higher energies are reproduced. As charge is accumulated around the perturber atom, the spatial charge distribution is considerably altered. The diffuse character of the Rydberg orbitals is not principally changed after clustering.

Details

ISSN :
00222860
Volume :
114
Database :
OpenAIRE
Journal :
Journal of Molecular Structure
Accession number :
edsair.doi...........d7d5fb3e27108748becc335117b713a9
Full Text :
https://doi.org/10.1016/0022-2860(84)87126-4