Nonempirical calculations of NMR indirect spin-spin coupling constants Part 14:: Azomethines of the α,β-unsaturated aldehydes

Configurational assignment of seven azomethines obtained from the a-functionally substituted and nonsubstituted alpha,beta-unsaturated aldehydes has been performed on the basis of experimental measurements and the high-level ab initio calculations of their (1)J(C,C) and (1)J(C,H), involving the a-imino carbon that demonstrated the marked stereochemical dependence of both coupling constants upon the orientation of the nitrogen lone pair in the diverse isomers of the title azomethines. Copyright (c) 2005 John Wiley & Sons, Ltd.