ISSN 1017-2548(Print)
ISSN 2234-8530(Online)
Volume 25, Number 3
JKCSEZ 25(3)
June 20, 1981 

The intrinsic reactivity of SN2 reaction in the gas phase was discussed MO theoretically (CNDO/2). We investigated the changes in geometry and electronic structure by means of the partial geometry optimization for reactantes, transition states, and products with various nucleophiles and leaving groups. We found that it was possible to discuss qualitatively the reactivity of SN2 reaction with CNDO/2 MO calculation and the reactivity was controlled by basicity and of induced polarizability.