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NMR and semi-empirical study of the tautomerism of2,2′-bisbenzimidazolyl (1998)

Zucco, Cesar ; Dall'Oglio, Evandro L. ; Salmória, Gean V. ; [et al.]

Chichester : Wiley-Blackwell

Journal of Physical Organic Chemistry 11 (1998), S. 411-418

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ISSN: 0894-3230

Keywords: 2,2′-bisbenzimidazolyl ; tautomerism ; NMR ; semi-empirical calculations ; Chemistry ; Theoretical, Physical and Computational Chemistry

Source: Wiley InterScience Backfile Collection 1832-2000

Topics: Chemistry and Pharmacology , Physics

Notes: A dynamic NMR study of the tautomerism of 2,2′-bisbenzimidazolyl in DMSO-d6 and a mechanistic interpretation of the process, based on a stepwise, single-proton transfer and formation of a zwitterionic intermediate, are presented. This interpretation is substantiated by semi-empirical calculations of the postulated intermediate and transition state, that yield results which are compared with previous studies on related aliphatic systems. © 1998 John Wiley & Sons, Ltd.

Additional Material: 5 Ill.

Type of Medium: Electronic Resource

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