Semiempirical calculation on photochromic process of spirooxazines

Semiempirical calculation on photochromic process of spirooxazines Structure effect on photochromic mechanism of 1,3-dimethyl-3,2′-(1,3-propyl-ene)spiro-[indoline-2,3′-[3H]naphtho[2,1-b][1,4]oxazine] (SP1) and 1,2′-(1,3-propylene)-3,3-dimethylspiro[indoline-2,3′[3H]naphtho[2,1-b]-[1,4]oxazine] (SP2) has been studied by AM1 calculation. The colored forms of SP1 and SP2 were fully optimized by AM1 method, and the results support the keto structures. The calculation results on stability of colored forms are agreeable with published experimental results. Research on Chemical Intermediates Springer Journals

Semiempirical calculation on photochromic process of spirooxazines

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Springer Netherlands
Copyright © 2000 by Springer
Chemistry; Catalysis; Physical Chemistry; Inorganic Chemistry
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