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Excited electronic states of a hydrogen bond: Bifluoride ion
Author(s) -
Lozes Richard,
Sabin John R.
Publication year - 1979
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/qua.560160209
Subject(s) - excited state , atomic physics , ion , chemistry , hydrogen , hydrogen bond , excited electronic state , physics , molecule , organic chemistry
We report here a summary of a limited CI calculation carried out on the C ∞ v and D ∞ h electronically excited states of bifluoride ion. This species is interesting as the prototype of a hydrogen‐bonded system. It is determined that the lowest‐lying excited states of the system are dissociative and/or autoionizing.