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3D wavepacket study of the photodissociation of CH3ONO(S1)

✍ Scribed by A. Untch; K. Weide; R. Schinke

Publisher: Elsevier Science
Year: 1991
Tongue: English
Weight: 537 KB
Volume: 180
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(91)87151-z

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✦ Synopsis

We report the first results of a tbre.edimensional wavepacket study for the photodissociation of methyl nitrite via the S, state. The calculation includes the O-N and the N-O bond distances as well as the ON0 bending angle and uses a previously published ab initio potential energy surface. We present the calculated absorption spectrum and the final vibrational-and rotational-state distributions of the NO fragment for one particular photon wavelength. They agree well with the corresponding experimental data.

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