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- W4206162034 abstract "The intramolecular two-proton transfer reaction in the ground and lowest excited states has been characterized for the model molecule of [2,2′-bipyridine]-3,3′-diol (BP(OH)2) with the use of ab initio techniques. In accord with the experimental findings it has been determined that only a single tautomeric form of BP(OH)2 exists in the ground state (di-enol form) and in the lowest excited single state (di-keto form), respectively. The excited-state proton transfer reaction occurs on an essentially barrierless potential energy surface. There is a significant barrier for the proton transfer reaction on the lowest excited triplet state surface." @default.
- W4206162034 created "2022-01-26" @default.
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- W4206162034 date "1996-04-05" @default.
- W4206162034 modified "2023-10-16" @default.
- W4206162034 title "Double-proton-transfer in [2,2′-bipyridine]-3,3′-diol: an ab initio study" @default.
- W4206162034 doi "https://doi.org/10.1016/s0009-2614(96)80008-x" @default.
- W4206162034 hasPublicationYear "1996" @default.
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