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首页> 外文期刊>Crystallography reports >Intracomplex pi-pi stacking interaction between adjacent phenanthroline molecules in complexes with rare-earth nitrates: Crystal and molecular structures of bis(1,10-Phenanthroline)trinitratoytterbium and bis(1,10-Phenanthroline)trinitratolanthanum
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Intracomplex pi-pi stacking interaction between adjacent phenanthroline molecules in complexes with rare-earth nitrates: Crystal and molecular structures of bis(1,10-Phenanthroline)trinitratoytterbium and bis(1,10-Phenanthroline)trinitratolanthanum

机译：稀土硝酸盐络合物中邻菲咯啉分子之间的络合物pi-pi堆积相互作用：双（1,10-菲咯啉）三硝oy和双（1,10-菲咯啉）三硝基镧的晶体和分子结构

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摘要

Crystals of the compounds Yb(NO3)(3)(Phen)(2) and La(NO3)(3)(Phen)(2) (Phen = 1,10-phenanthroline) are investigated using X-ray diffraction. It is established that there exist two different crystalline modifications: the main modification (phase 1) is characteristic of all members of the isostructural series, and the second modification (phase 2) is observed only for the Eu, Er, and Yb elements. It is assumed that the stability and universality of main phase 1 are associated with the occurrence of the nonbonded pi-pi stacking interactions between the adjacent phenanthroline ligands in the complexes. The indication of the interactions is a distortion of the planar shape of the Phen molecule (the folding of the metallocycle along the Na <-N line with a folding angle of 11A degrees aEuro"13A degrees and its "boomerang" distortion). The assumption regarding the pi-pi stacking interaction is very consistent with the shape of the ellipsoids of atomic thermal vibrations, as well as with the data obtained from thermography and IR spectroscopy. An analysis of the structures of a number of rare-earth compounds has demonstrated that the intracomplex pi-pi stacking interactions directly contribute to the formation of supramolecular associates in the crystals, such as molecular dimers, supramolecules, chain and layered ensembles, and framework systems.
机译：使用X射线衍射研究了Yb（NO3）（3）（Phen）（2）和La（NO3）（3）（Phen）（2）（Phen = 1,10-菲咯啉）的晶体。已经确定存在两种不同的晶体修饰：主要修饰（相1）是同构系列所有成员的特征，而第二修饰（相2）仅对于Eu，Er和Yb元素可见。假定主相1的稳定性和普遍性与复合物中相邻菲咯啉配体之间非键合pi-pi堆积相互作用的发生有关。相互作用的指示是Phen分子平面形状的变形（金属环沿着Na <-N线的折叠，折叠角为11A度aEuro“ 13A度”及其“回旋镖”变形）。关于π-π堆积相互作用与原子热振动的椭球形状以及热成像和红外光谱数据非常一致，对多种稀土化合物的结构分析表明：复杂的pi-pi堆积相互作用直接促进了晶体中超分子缔合体的形成，例如分子二聚体，超分子，链状和分层的整体以及构架系统。

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