| 摘要 |
PROBLEM TO BE SOLVED: To provide a decoloring rate adjustment method of naphthopyran compound which is a photochromic material in which decoloring rate can be adjusted without repeating multi time experiments, in introduction of a substituent group of a naphthalene ring in a naphthopyran (benzo-chromene) compound.SOLUTION: A substituent group is introduced to a naphthalene ring of a naphthopyran compound for adjusting the decoloring rate. Based on activation free energy in a transition state returning from a ring open body to a ring close body obtained from density general function calculation (DFT calculation), the decoloring rate is predicted, for selecting a substituent group and a substitution position on the naphthalene ring, therefore molecular design of the naphthopyran compound is performed. |
