水杨基苯胺晶体的光致变色性质与分子结构的关系。

IF 1.9 3区 化学 Acta Crystallographica Section B-structural Science Pub Date : 2012-06-01 Epub Date: 2012-05-04 DOI:10.1107/S0108768112010993
Kohei Johmoto, Takashi Ishida, Akiko Sekine, Hidehiro Uekusa, Yuji Ohashi
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引用次数: 32

摘要

水杨基苯胺衍生物n -水杨基-4-叔丁基苯胺(1)、n -3,5-二-叔丁基-水杨基-3-甲氧基苯胺(2)、n -3,5-二-叔丁基-水杨基-3-溴苯胺(3)、n -3,5-二-叔丁基-水杨基-3-氯苯胺(4)、n -3,5-二-叔丁基-水杨基-4-溴苯胺(5)、n -3,5-二-叔丁基-水杨基-苯胺(6)、用x射线衍射分析了n -3,5-二叔丁基水杨基-4-羧基苯胺(7)和n -水杨基-2-氯苯胺(8),探讨了它们的光致变色性质与分子结构的关系。观察到水杨基苯胺衍生物中两个苯环的二面角与光致变色有明显的相关性。二面角小于20°的晶体不具有光致变色性,而二面角大于30°的晶体具有光致变色性。二面角在20 ~ 30°之间的晶体可以是光致变色的,也可以是非光致变色的。然而,通过分子内或分子间位阻抑制踏板运动,即使二面角大于30°,也会导致非光致变色行为。
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Relation between photochromic properties and molecular structures in salicylideneaniline crystals.

The crystal structures of the salicylideneaniline derivatives N-salicylidene-4-tert-butyl-aniline (1), N-3,5-di-tert-butyl-salicylidene-3-methoxyaniline (2), N-3,5-di-tert-butyl-salicylidene-3-bromoaniline (3), N-3,5-di-tert-butyl-salicylidene-3-chloroaniline (4), N-3,5-di-tert-butyl-salicylidene-4-bromoaniline (5), N-3,5-di-tert-butyl-salicylidene-aniline (6), N-3,5-di-tert-butyl-salicylidene-4-carboxyaniline (7) and N-salicylidene-2-chloroaniline (8) were analyzed by X-ray diffraction analysis at ambient temperature to investigate the relationship between their photochromic properties and molecular structures. A clear correlation between photochromism and the dihedral angle of the two benzene rings in the salicylideneaniline derivatives was observed. Crystals with dihedral angles less than 20° were non-photochromic, whereas those with dihedral angles greater than 30° were photochromic. Crystals with dihedral angles between 20 and 30° could be either photochromic or non-photochromic. Inhibition of the pedal motion by intra- or intermolecular steric hindrance, however, can result in non-photochromic behaviour even if the dihedral angle is larger than 30°.

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来源期刊
自引率
5.30%
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6-12 weeks
期刊介绍: Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials publishes scientific articles related to the structural science of compounds and materials in the widest sense. Knowledge of the arrangements of atoms, including their temporal variations and dependencies on temperature and pressure, is often the key to understanding physical and chemical phenomena and is crucial for the design of new materials and supramolecular devices. Acta Crystallographica B is the forum for the publication of such contributions. Scientific developments based on experimental studies as well as those based on theoretical approaches, including crystal-structure prediction, structure-property relations and the use of databases of crystal structures, are published.
期刊最新文献
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