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Ab initio study of the amino group twisting and wagging reaction paths in the intramolecular charge transfer of 4-(N,N-dimethylamino)benzonitrile

โœ Scribed by Wibke Sudholt; Andrzej L Sobolewski; Wolfgang Domcke


Book ID
108430768
Publisher
Elsevier Science
Year
1999
Tongue
English
Weight
211 KB
Volume
240
Category
Article
ISSN
0301-0104

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๐Ÿ“œ SIMILAR VOLUMES


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The twisted intramolecular charge transfer phenomenon in p-(N,N-dimethylamino)benzonitrile has been studied using Austin model 1 (AMI) semi-empirical calculations. A detailed picture of the twisting process is obtained by calculation of the ground and excited state profiles as a function of twist an

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The rate of formation of the intramolecular charge-transfer state of 4-(N,N-dimethylamino)benzonitrile (DMABN) has been determined in supercritical CFsH using a fast single-photon counting technique. The rate constant increases rapidly with increasing CFIH density, indicating the importance of the p