Merocyanine-spiropyran relaxation processes
Merocyanine-spiropyran relaxation processes
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DOI：
10.1140/epjd/e2017-80306-4
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发表时间：
2018-01-25
影响因子：
1.8
通讯作者：
Belous, Dmitro
中科院分区：
文献类型：
--
作者：
Kovalenko, Olha;Lopatkin, Yuriy;Belous, Dmitro
在本文中，研究了部花青-螺吡喃转化的机制。结果表明，在黑暗条件下，这种转变需要克服高度约为 0.6 eV 的势垒。由于部花青分子的苯基部分相对于分子平面旋转90度，可以无障碍地转变为螺吡喃分子。事实证明，部花青分子中的部分的90度取向只能通过光化学方式实现，因为在S-1状态下，通过苯基部分相对于其平面的旋转，势表面的分子能量降低。
In the paper mechanisms of merocyanine-spiropyran transformation were investigated. It was shown that in dark conditions for such transformation it is necessary to overcome the potential barrier with height of similar to 0.6 eV. A barrierless transformation into the spiropyran molecule is possible due to the rotation of the phenyl moiety of the merocyanine molecule by 90 degrees relative to the plane of the molecule. It was proved that a 90 degrees orientation of moieties in the merocyanine molecule is achievable only in a photochemical way because in S-1 state of the molecule energy of the potential surface is lowered by rotation the phenyl moiety relative to its plane.