论文信息 - Constantes de couplage vicinales à travers deux hétéroatomes: III—Calculs théoriques et mesures expérimentales dans les hydrazides enrichies en 15N

Constantes de couplage vicinales à travers deux hétéroatomes: III—Calculs théoriques et mesures expérimentales dans les hydrazides enrichies en 15N

Divers calculs, dont celui utilisant la methode des perturbations finies avec des fonctions d'onde INDO, ont ete effectues pour calculer la valeur du couplage 3J(1HNN1H) dans les hydrazides en fonction de l'angle diedre. Les resultats experimentaux (1H, 13C, 15N) sont examines a la lumiere de ces calculs. Le premier exemple d'un couplage 2J(1HN15N) est decrit. Different calculations, among them those utilizing the finite perturbation theory with INDO wave functions, have been effected to calculate the value of the 3J(1HNN1H) coupling constant in hydrazides as a function of the dihedral angle. Experimental coupling constants have been compared with calculated ones in order to determine the conformation around the NN bond. The first example of a 2J(1HN15N) coupling is described.

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