Nonempirical calculations of NMR indirect spin-spin coupling constants. Part 14: azomethines of the alpha, beta-unsaturated aldehydes.
Configurational assignment of seven azomethines obtained from the alpha-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 1J(C,C) and 1J(C,H), involving the alpha-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.
Krivdin
Leonid B
LB
A.E. Favorsky Irkutsk Institute of Chemistry, Siberian Branch of the Russian Academy of Sciences, Favorsky St 1, 664033 Irkutsk, Russia. krivdin@irk.ru
Larina
Lyudmila I
LI
Chernyshev
Kirill A
KA
Rulev
Alexander Yu
AY