螺噁嗪化合物光致变色行为的研究
Studies on Photochromic Behaviour of Spirooxazine Compound
-
摘要: 针对螺噁嗪化合物光致变色的实验现象,通过分子力学和量子化学理论计算表明螺环分子受光照后开环形成能量相近的酮式结构,呈蓝色.停止光照后又回复至张力能相对较小的螺环结构,蓝色褪去。Abstract: Photochromic behaviour of spirooxazine compounds was listed. Results of molecular mechanics and PPP-CI semiempirical quantum chemical calculations show that under irradiation the spiro-ring opened, while the most probable form was carbonyl structrue. The spiro-ring is restored in the absence of light which had less strain energy.