Studies of the chemistry of tri (tert-butoxy) silyl isocyanide. Ab initio calculations of silyl cyanide/isocyanide energies

…, DA Dixon, EW Matthews, F Davidson…

Index: Hertler, Walter R.; Dixon, David A.; Matthews, Ellen W.; Davidson, Fredric; Kitson, Fulton G. Journal of the American Chemical Society, 1987 , vol. 109, # 21 p. 6532 - 6533

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Citation Number: 19

Abstract

The facile equilibration of silyl isocyanides and silyl cyanides, which has been recognized for nearly three decades,',* and the generally low equilibrium concentration of the isocyanide (0.1 5% in the case of trimethylsilyl isocyanide at 25 0C) 233 have discouraged comparative chemical reactivity studies of these species. 4 CNDO calculations5 predict silyl cyanide to be-55 kcal/mol more stable than silyl isocyanide. We have found that tri (tert- ...