The excited state and ground state potential surfaces are calculated for the photoionization of Pararosaniline leucocyanide using MNDO-SCF and INDO-SCF-CI molecular orbital methods. These potential surfaces are corrected for influence of polar media using Onsager reaction field theory and incorporating dipole-dipole interaction. These calculations support a mechanism of photochromism in which photodissociation occurs from the first singlet excited state.
Library of Congress Subject Headings
Photographic chemistry; Photochromic materials
Imaging Science (MS)
Westbrook, John, "Semi-empirical molecular orbital calculations of the ground and excited state potential surfaces for photodissociation of Pararosaniline leucocyanide incorporating solvent stabilization" (1985). Thesis. Rochester Institute of Technology. Accessed from
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