Molecular orbital calculations reveal that the keto tautomer of HOCHCHNHNCHz, unlike the enol, does not represent a minimum in the ground state proton transfer potential. Excitation to the first excited singlet or triplet state leads to a rapid and barrierless transfer to the keto which becomes stro
Intramolecular electron-transfer excited state in 6-cyanobenzquinuclidine
β Scribed by Krystyna Rotkiewicz; Wiesz.xl;lawa Rubaszewska
- Publisher
- Elsevier Science
- Year
- 1980
- Tongue
- English
- Weight
- 398 KB
- Volume
- 70
- Category
- Article
- ISSN
- 0009-2614
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β¦ Synopsis
Recervcd 23 November 1979; m final form 10 December 1979 6-cyanobenzquinuchdmc has a ngd structure wrth the lone-pau orbrtal of the ammo-group mtrogen atom and the norbrtals of the aromntrc rmg mutually perpcndrcular. It 1s a model for the previously postulated twrsted rnternal chargetrnnsfcr cxcrted states. The fluorcsccnt smglet state was rdentrfied as a strongly polar state with a full charge separation, observed m absorption as the t(n, rr*) ewttcd state. The results strongly support the twtsted Internal charge-transfer state hypothesrs.
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