Spin-Non-Conservative Photoisomerization Naphthvalene

Thiel and the author [43] adopted a dual approach in investigating this reaction qualitative theory (OCAMS) and computation (MNDOC). The computation places Si(NV) well above the first few excited singlets of naphthalene, so the failure to observe fluorescence from Si(N) cannot be waved away with the argument that it is energetically inaccesssible. The reason for the unusual behavior of NV on photoexcitation evidently has to be sought in the symmetry properties of the excited states involved. 

Turning to the photochemical isomerization, the consequences of the alternative assumptions as to the nature of Si are explored separately  

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