Crystal Structure and Photochemical Behavior of 2,2,4,6-Tetraphenyldihydro-1,3,5-triazine and Its Inclusion Compounds
Crystal Structure and Photochemical Behavior of 2,2,4,6-Tetraphenyldihydro-1,3,5-triazine and Its Inclusion Compounds
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2,2,4,6-四苯基二氢-1,3,5-三嗪及其包合物的晶体结构和光化学行为
DOI：
10.1246/bcsj.62.3171
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发表时间：
1989
影响因子：
4
通讯作者：
K. Maeda
中科院分区：
文献类型：
--
作者：
Y. Mori;Y. Ohashi;K. Maeda
测定了2，2，4，6-四苯基二氢-1，3，5-三嗪（1）及其光稳定丙胺溶剂化物（2）的晶体结构。化合物1和2中的二氢三嗪的分子结构表明其在晶体中以2，3-二氢形式存在，但N（3）-C（4）的键距比正常的C-N单键短，表明N（3）上的孤对电子与C（4）=N（5）-C（6）=N（1）的π体系相互作用。1，2，和其他包合物的晶体结构的比较先前确定的显示，在晶体的光化学行为的差异是由于不同的氢键方案。1在固态下的光解，这是进行与光致变色物种的结构研究，得到2，4，6-三苯基-1，3，5-三嗪作为主要产物。
Crystal structures of 2,2,4,6-tetraphenyldihydro-1,3,5-triazine (1), which shows photocoloration, and its photostable propylamine solvate (2) have been determined. The molecular structure of the dihydrotriazine in 1 and 2 showed that it exists in 2,3-dihydro form in the crystals, but the bond distance of N(3)–C(4) was shorter than a normal C–N single bond, indicating that lone-pair electrons on N(3) interact with the π system of C(4)=N(5)–C(6)=N(1). Comparison of crystal structures of 1, 2, and other inclusion compounds previously determined revealed that the difference in the photochemical behavior of the crystals is attributable to different hydrogen bonding schemes. Photolysis of 1 in the solid state, which was carried out in connection with the structural investigation of the photocolored species, gave 2,4,6-triphenyl-1,3,5-triazine as a main product.