Comparison of non-covalent interactions and spectral properties in 1-methyl-3-methylthio-5-phenyl-1,2,4-triazinium mono- and tetraiodide crystals

被引：0

作者：

Irina D. Yushina

Boris V. Rudakov

Adam I. Stash

Ekaterina V. Bartashevich

机构：

[1] South Ural State University,

[2] L.Ya. Karpov Institute of Physical Chemistry,undefined

[3] A. N. Nesmeyanov Institute of Organoelement Compounds of Russian Academy of Science,undefined

来源：

Structural Chemistry | 2019年 / 30卷

关键词：

1,2,4-Triazine; 1,2,4-Triaziniumoligoiodide; Tetraiodide; Halogen bond; Chalcogen bond;

D O I：

暂无

中图分类号：

学科分类号：

摘要：

The reaction of 1-methyl-3-methylthio-5-phenyl-1,2,4-triazinium (MTPT) iodide with diiodine in a solution leads to monoiodide crystal structure that in excess of iodine gives the unusual tetraiodide anion with two central iodine atoms in disorder. The bonding within the anion has been characterized as I–…I2…I–; the existence of the bound iodine molecule inside has been proven by the characteristic band in experimental and calculated Raman spectra. Non-covalent interactions of MTPT in considered crystal structures are different. Monoiodide anion as a strong electron donor allows the formation of the S…I chalcogen bonds that are absent in tetraiodide structure. The features of halogen bonds within the I42– anion are also performed.

引用

页码：1981 / 1991

页数：10

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