The molecular structure of allenes and ketenes. XIV—semi‐empirical descriptions of 13C chemical shifts of ketene imines and deduced from the effects of isoelectronic substitutions in allenes

摘要: An essentially algebraic model for semi-empirical calculations of 13C chemical shicts ketene imines and ketenes is presented which utilizes geometrical non-geometrical aspects symmetry. In particular, emphasizing isoelectronic substitution as a generalized symmetry principle, it shown that approximation functions the description shifts can be deduced from those used allenes, parameters are necessary carbon resonances heterocumulenes simply related to allenes. A comparison between calculated experimental complex demonstrates relevance suggested model.