Localized electronic excitation in a hydrogen bond | Zendy

Lozes Richard L. | Zendy; Sabin John R. | Zendy

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Localized electronic excitation in a hydrogen bond

Author(s) -

Lozes Richard L.,

Sabin John R.

Publication year - 2009

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.560220727

Subject(s) - excited state , atomic physics , excitation , ion , hydrogen , chemistry , hydrogen bond , energy transfer , dissociative , physics , molecule , quantum mechanics , medicine , organic chemistry , pharmacology

Energy transfer via electronically excited states of a hydrogen‐bonded network has been proposed as a model for energy transfer in biological systems. To examine this possibility on a simple hydrogen‐bonded system, modest configuration interaction ( CI ) calculations are carried out on the bifluoride ion. The first few low lying excited states are examined, and all appear to be dissociative and/or autoionizing.

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