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首页> 外文期刊>Acta Crystallographica, Section B. Structural Science >Packing-dependent photochromism: the case of photoinduced intramolecular proton transfer in 6-(2 ',4 '-dintrobenzyl)-2,2 '-bipyridine
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Packing-dependent photochromism: the case of photoinduced intramolecular proton transfer in 6-(2 ',4 '-dintrobenzyl)-2,2 '-bipyridine

机译：包装依赖性光致变色：在6-（2'，4'-二硝基苄基）-2,2'-联吡啶中光诱导的分子内质子转移的情况

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摘要

A new photoactive monoclinic polymorph (gamma-form) of 6-(2,4'-dinitrobenzyl)-2,2'-bipyridine was obtained from an acetone-methanol solution. The crystal structure was compared with those of two polymorphs reported previously (photoactive orthorhombic alpha-form and photoinactive monoclinic beta-form) and with structures of related nitrobenzylpyridines to explain the relation between the structure and photochromism. The comparison of the reaction cavities around the reactive pyridyl-benzyl-nitro fragment among the polymorphs and related nitrobenzylpyridines revealed that a crucial factor for photochromic activity is the rotational freedom of the ortho-nitro group in their crystals and its accessibility from the proton-donor and proton-acceptor sites. This is because the ortho-nitro group should rotate around the N-C bond to transfer a proton from the methylene group to the N atom of the pyridine ring.
机译：从丙酮-甲醇溶液中获得了一种新的6-（2,4'-二硝基苄基）-2,2'-联吡啶的光敏单斜晶型（γ型）。将该晶体结构与先前报道的两种多晶型物的晶体结构（光活性正交α-型和光惰性单斜晶β-型）以及相关的硝基苄基吡啶的结构进行了比较，以解释该结构与光致变色之间的关系。多晶型物和相关硝基苄基吡啶之间反应性吡啶基-苄基-硝基片段周围的反应腔的比较表明，光致变色活性的关键因素是其晶体中邻硝基的旋转自由度以及其从质子供体中的可及性和质子受体部位。这是因为邻硝基应绕N-C键旋转，以将质子从亚甲基转移到吡啶环的N原子上。

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