Author： Zilberg S. Haas Y.
Publisher： Taylor & Francis Ltd
ISSN： 1362-3028
Source： Molecular Physics, Vol.104, Iss.5-7, 2006-03, pp. : 1061-1068
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Abstract
Chemical transformations of the norbornadiene cation radical (NRB + • ) involving intramolecular electron transfer (IET) are analysed using a two-dimensional potential surface formed by reaction coordinates along two pathways. One leads to the quadricyclane cation radical, the other to the benzene cation radical plus a methylene biradical. Two separate conical intersections between the ground state and the first excited state of (NRB +• ) are located using the Longuet–Higgins sign-inverting theorem. The implications of this finding on the photodynamics of the system are discussed.
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