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AB initio study of the low-lying excited states of cyclopropene by the equations-of-motion method

✍ Scribed by G. Fronzoni; V. Galasso

Publisher: Elsevier Science
Year: 1987
Tongue: English
Weight: 347 KB
Volume: 133
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(87)87073-2

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✦ Synopsis

The lowest singlet and triplet excited states of cyclopropene have been investigated with the equations-of-motion method. The first spectral band is due to a singlet transition arising from x -+3s,3p excitations. The other two band systems are associated with clusters of transitions predominantly of Rydberg nature or strong admixtures of valence-valence and valence-Rydberg excitations. The first triplet transition is mainly of II: +lc* character.

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