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Semiempirical Calculation On Photochromic Process of Spirooxazines

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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 AM I method, and the results support the keto structures. The calculation results on stability of colored forms are agreeable with published experimental results.

Affiliations: 1: Institute of Photographic Chemistry, The Chinese Academy of Sciences, Beijing 100101, CHINA

10.1163/156856700X00697
/content/journals/10.1163/156856700x00697
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/content/journals/10.1163/156856700x00697
2017-11-24

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