Nitrenium ions Subject

The nitrenium ion +NH2 has been the subject of a detailed, comprehensive calculation. Calculations on (48) with 15 different X substituents reveal a large substituent sensitivity, and also that aqueous solvation preferentially stabilizes the singlet state. This substiment sensitivity agrees with the results of a time-resolved IR study of the diphenylnitrenium ion (49), which shows that resonance contributors such as (50) and (51) are very important to the overall structure. Substituted 4-biphenyl nitrenium ions... 

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