✦ LIBER ✦

Current density investigation of tunneling in photodissociation resonances: CH3ONO

✍ Scribed by Steven M. Miller; Millard H. Alexander

Publisher: Elsevier Science
Year: 1995
Tongue: English
Weight: 442 KB
Volume: 232
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(94)01381-5

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✦ Synopsis

The application is described of our recently developed current density analysis of photodissociation to the methyl nitrite (CHaONO) system. The spectrum exhibits a series of vibrational resonances, or predissociating states, arising from a local minimum in the excited state potential surface. The degree to which tunneling through the barrier plays a role in their dissociation is investigated by means of the current density at the transition state and a simple semi-classical quantization model. For vibrationally excited resonances, current density maps are considerably complicated by the presence of vortices.

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