✦ LIBER ✦

Double-well potential surface and associated vibrational frequencies in the ā3A2 nπ* state of formaldehyde

✍ Scribed by E. Lavenir; Y. Bouteiller; C. Mijoule; J.M. Leclercq

Publisher: Elsevier Science
Year: 1985
Tongue: English
Weight: 445 KB
Volume: 117
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(85)80277-3

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✦ Synopsis

A double-well potential surface has been computed for Ihe our-of-plane bending and Ihe C=O slrckhmg vibrations of the lowesl Fi3Az excited electronic state of H&O. The vibrauonal levels of Lhe coupled osallators have bern calculaled using a variational treatment_ The barrier heighl of inversion as well as the symmetric (+)-antisymmetric (-) splitkgs and the vibrational energies are rcponed.

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