Tetrabenzo[ab,f,jk,o][18]annulene: synthesis, crystal structure analysis, ab initio quantum-chemical studies of intermolecular interactions in the gas phase and in crystalline states, photodimerization and photopolymerization
Tetrabenzo[ab,f,jk,o][18]annulene: synthesis, crystal structure analysis, ab initio quantum-chemical studies of intermolecular interactions in the gas phase and in crystalline states, photodimerization and photopolymerization
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四苯并[ab,f,jk,o][18]轮烯：合成、晶体结构分析、气相和晶态分子间相互作用的从头算量子化学研究、光二聚和光聚合
DOI：
10.1039/a903451j
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发表时间：
1999
期刊：
影响因子：
--
通讯作者：
H. Meier
中科院分区：
文献类型：
--
作者：
R. Yu;A. Yakimansky;I. Voigt;M. Fetten;C. Schnorpfeil;D. Schollmeyer;H. Meier
合成的标题化合物 8 以三种不同的修饰形式结晶，并通过电子晶体学、高分辨率电子显微镜和 X 射线结构分析进行了研究。通过从头算量子化学方法研究了分子对的形成。将计算出的“二聚体”与晶体结构中最近相邻分子的相互取向以及通过拓扑化学光二聚化获得的共价键合二聚体进行比较。
The synthesized title compound 8 crystallizes in three different modifications, which were investigated by electron crystallography, high resolution electron microscopy and X-ray structural analysis. The formation of molecular pairs was studied by an ab initio quantum-chemical approach. The calculated “dimers” were compared to the mutual orientations of nearest neighboring molecules in the crystal structures and to covalently bonded dimers obtained by a topochemical photodimerization.