Preparation, 13C NMR/DFT/IGLO Study of Benzylic Mono-and Dications, and Attempted Preparation of a Trication1

GA Olah, T Shamma, A Burrichter, G Rasul…

Index: Olah, George A.; Shamma, Tatyana; Burrichter, Arwed; Rasul, Golam; Prakash, G. K. Surya Journal of the American Chemical Society, 1997 , vol. 119, # 52 p. 12923 - 12928

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Citation Number: 32

Abstract

Substituted benzylic mono-and dications were prepared and investigated by 1H and 13C NMR spectroscopy and DFT/IGLO calculations. Combined experimental and theoretical study suggest that the structure 1a is the major resonance contributor to the 2, 4, 6- trimethylbenzyl cation 1. Similar results were also found for the 2, 4, 6-dimethyl-4-tert- butylbenzyl 2 and 2, 3, 4, 5, 6-pentamethylbenzyl cation 3. It was found that the structure ...