COMMUNICATIONSTris(cha1cogenato)carbenium Ions [C(XR),] + (X = 0, S, Se, Te): An Experimental and Quantum-Chemical Comparison ** D i e t m a r O h l m a n n , Christina M . M a r c h a n d ,
Diazonium ions arc reactive intermediates in deamination reactions pertinent to chcmical carcinogenesis. While methyldiazoniim ion has been shown t o exist as a short-lived intermediate in the gas phasc and in solution, benzyldiazonium ions have nevcr been observed, and the reaction intermediates in dcaniinations of benzyl systems remain a matter of debate. We therefore studied the benzyl cation-dinitrogen interaction by ab initio methods; several important conclusions rcsulted. Analysis of the potential energy surface at the level MP4(sdtq)/6-31 G*// MP2(fu11)/6-31 G* + AVZPE(MP2(full)/ 6-31 G*) revealed that a classical "benzyldiazonium ion" does not exist. The interaction of N, with benzyl cation M-1 results in an clcctrostatically bound com-
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