QUANTUM-CHEMICAL STUDY OF THE MECHANISM OF PHOTODISSOCIATION OF CHLORONAPHTHALENES

The mechanism of C-Cl bond photodissociation in a molecule of 1-chloro methylnaphthalene was studied by quantum-chemical methods. The states responsible for the photodissociation were specified on the basis of t he analysis of bond populations and from consideration of the characte r of potential energy curves of electronically excited states. Studies of the dynamics of photophysical processes in a molecule of 1-chlorom ethylnaphthalene show that the reaction of chlorine atom abstraction o ccurs via the predissociation mechanism. The photoreaction occurs in t riplet pisigma state formed with the participation of a C-Cl bond beca use in the molecule studied, the intersystem crossing is noticeably mo re effective than the internal conversion (k(ST) > 10(9) s-1 > k(ic) a pproximately 10(6) S-1).