Ab initio study of the molecular electrostatic potential of monocyclic and bicyclic azines

Abstract:

An ab initio SCP MO study of the molecular electrostatic potential was performed on a series of monocyclic and bicyclic azines. Connections between the chemical reactivity of the azines and the molecular electrostatic potential were explored. Good correlations between the minima of the electrostatic potential, at the distance of the nitrogen van der Waals radius and at the position of the nitrogen nucleus, and the azines experimental basicity were found. © 1994.

Año de publicación:

1994

Keywords:

Fuente:

scopus