caa a22 4500 465807402 CHVBK 20180323112106.0 cr unu---uuuuu 170327e19900701xx s 000 0 eng 10.1007/BF00530430 doi (NATIONALLICENCE)springer-10.1007/BF00530430 Excitation-energy relaxation in photochromic indoline spiropyranes [Elektronische Daten] [V. Lisyutenko, V. Barachevskii, A. Pankratov, G. Konoplev] Wave functions derived by CNDO/S have been used to calculate rate constants for excited-state deactivation in products from the direct photocoloration of indoline spiropyranes: unsubstituted, 6-methoxy, and 6-nitro. The rate constants have been compared for the radiative and radiationless deactivation of the excited S1 state, which serves to identify the main relaxation channels in these photochromic compounds. The Wiberg indices for the bonds in the pyrane ring for various excited states define the photochemically active state involved in the photochromism. The multiplet structure in a channel for the most effective coloring is dependent on the electronic type of the substituent in position 6 in the chromene moiety. Plenum Publishing Corporation, 1990 Lisyutenko V. Organic Intermediates and Dyes Research Institute, Moscow aut Barachevskii V. Organic Intermediates and Dyes Research Institute, Moscow aut Pankratov A. Organic Intermediates and Dyes Research Institute, Moscow aut Konoplev G. Organic Intermediates and Dyes Research Institute, Moscow aut Theoretical and Experimental Chemistry Kluwer Academic Publishers-Plenum Publishers 25/4(1990-07-01), 390-395 0040-5760 25:4<390 1990 25 11237 https://doi.org/10.1007/BF00530430 text/html Onlinezugriff via DOI 1 research-article jats NATIONALLICENCE 856 40 https://doi.org/10.1007/BF00530430 text/html Onlinezugriff via DOI NATIONALLICENCE 700 1- Lisyutenko V. Organic Intermediates and Dyes Research Institute, Moscow aut NATIONALLICENCE 700 1- Barachevskii V. Organic Intermediates and Dyes Research Institute, Moscow aut NATIONALLICENCE 700 1- Pankratov A. Organic Intermediates and Dyes Research Institute, Moscow aut NATIONALLICENCE 700 1- Konoplev G. Organic Intermediates and Dyes Research Institute, Moscow aut NATIONALLICENCE 773 0- Theoretical and Experimental Chemistry Kluwer Academic Publishers-Plenum Publishers 25/4(1990-07-01), 390-395 0040-5760 25:4<390 1990 25 11237 Metadata rights reserved Springer special CC-BY-NC licence nationallicence BK010053 XK010053 XK010000 NATIONALLICENCE NATIONALLICENCE NL-springer