Substituent effect of diarylethenes on IR spectra for application of non‐destructive readout of photochromic recording
Substituent effect of diarylethenes on IR spectra for application of non‐destructive readout of photochromic recording
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DOI：
10.1002/poc.1254
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发表时间：
2007-11
影响因子：
1.8
通讯作者：
A. Takata;S. Yokojima;H. Nakagawa;Yuji Matsuzawa;A. Murakami;Shinichiro Nakamura;M. Irie;K. Uchida
中科院分区：
文献类型：
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作者：
A. Takata;S. Yokojima;H. Nakagawa;Yuji Matsuzawa;A. Murakami;Shinichiro Nakamura;M. Irie;K. Uchida
制备了光致变色二乙基乙烯衍生物1,2-二（2-甲基-5-苯基-3-噻吩基）全氟环戊烯(1)、1,2-二（2,4-二甲基-5-苯基-3-噻吩基）全氟环戊烯(2)和1,2-二（2-甲氧基-5-苯基-3-噻吩基）全氟环戊烯(3)，研究取代基对红外光谱的影响。取代基引起的红外光谱变化的原因可以分为(1)结构的变化，(2)电荷分布的变化，(3)新引入取代基引起的新正态模式，并通过从头算量子化学计算进行了检验。通过对实验和计算红外光谱的比较，澄清了开环和闭环异构体取代基效应的差异。这样的理解对于设计用于红外光无损读出的二乙烯衍生物是有用的。版权所有©2007 John Wiley & Sons， Ltd
Photochromic diarylethene derivatives, 1,2-bis(2-methyl-5-phenyl-3-thienyl)perfluorocyclopentene (1), 1,2-bis(2,4-dimethyl-5-phenyl-3-thienyl)perfluorocyclopentene (2), and 1,2-bis(2-methoxy-5-phenyl-3-thienyl) perfluorocyclopentene (3) were prepared to study substituent effects on IR spectra. The origin of the change of IR spectra due to the substituents may be categorized into (1) change in structure, (2) change in charge distribution, and (3) new normal modes due to the newly introduced substituent, which was examined by ab initio quantum chemical calculations. Comparisons between the experimental and computational IR spectra clarified the difference of the substituent effects between open- and closed-ring isomers. Such understanding should be useful for designing diarylethene derivatives in use for non-destructive readout by IR light. Copyright © 2007 John Wiley & Sons, Ltd.