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Excited-state structures of molecules with nearby electronic states

Chandra, AK (1989) Excited-state structures of molecules with nearby electronic states. In: Journal of Molecular Structure: THEOCHEM, 202 . pp. 249-263.

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Official URL: http://dx.doi.org/10.1016/0166-1280(89)87021-6


Vibronic coupling among the nearby excited electronic states via the in-plane and the out-of-plane nuclear motions is examined in benzene, pyrazine, formaldehyde and thioformaldehyde. Results reveal that in benzene the structure distorts via the most active nuclear bending (planar) motion while in the other molecules the structures distort through an out-of-plane bending motion in their respective lowest excited states.

Item Type: Journal Article
Publication: Journal of Molecular Structure: THEOCHEM
Publisher: Elsevier Science
Additional Information: Copyright of this article belongs to Elsevier Science.
Department/Centre: Division of Chemical Sciences > Inorganic & Physical Chemistry
Date Deposited: 16 Jul 2010 06:54
Last Modified: 19 Sep 2010 06:11
URI: http://eprints.iisc.ac.in/id/eprint/29305

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