Application of response surface methodology for exploring β-cyclodextrin effects on the decoloration of spiropyran complexes

• Published in: Chemical physics letters Vol. 662; pp. 296 - 305
• Main Author: Wang, Li-Fen
• Format: Journal Article
• Language: English
• Published: Elsevier B.V 01.10.2016
• Subjects: Quantum chemistry calculation; Response surface methodology; Spiropyran; β-cyclodextrin polymer; β-cyclodextrin polymer; Quantum chemistry calculation; Spiropyran; Response surface methodology
• ISSN: 0009-2614; 1873-4448
• DOI: 10.1016/j.cplett.2016.09.068

[Display omitted] •Response surface method is applied to trace the fading path of photochromic film.•The effects on the decoloration rate of photochromic film are explored.•Quantum chemical calculation offers quantitative insight into the photochromism. Response surface method is applied here to trace the photochromic path and explore the substituent and β-cyclodextrin effects on the decoloration of the spiropyran/β-cyclodextrin polymer (SP/CDP) complex. Calculations support the ultraviolet/visible experimental results, suggesting that introducing an electron-withdrawing group to the benzopyryl moiety of SPs favors an enhancement in their decoloration, whereas replacing the benzopyryl with a naphthopyryl moiety obstructs their decoloration. CDP complexation weakens the C1O bond of the closed SP form and enhances the polar zwitterionic structure in the open photomerocynine form. However, the electron-withdrawing group strengthens the interaction of benzopyryl SPs with CDP, thereby hindering their decoloration.