“反卤素”键作为铜与(5z,5 ' z)-2,2'-(乙烷-1,2-二基二磺基二基)二(5-(2-吡啶基亚甲基)-3-烯丙基-3,5-二氢-4-咪唑-4- 1)配合物中四面体结构的决定因素

A. Al-khazraji, I. Dudkin, E. Ofitserov, A. Finko, E. Beloglazkina
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引用次数: 0

摘要

对所得的CiVg2 - c (5Z, 5' z)-2,2 ' -(乙烷-1,2-二烷基二磺基)-(5-(2-吡啶基亚甲基)-3-烯丙基-3,5-dihydro-4Нimidazole-4-one)配合物中c - s键的Si和碳原子的价角分析明确表明溴原子和硫原子NEP的电子密度质心的非价相互作用的决定作用。导致Cu(II)的平面结构向四面体方向变化,铜原子的磁化学性质可能发生变化,平面的旋转角度接近900。这种相互作用与通常所说的卤素键相反。在这种情况下,它是一个“反卤素”键。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
"ANTI-HALOGEN" BONDS AS A FACTOR DETERMINING THE TETRAHEDRAL STRUCTURE OF COPPER IN ITS COMPLEXES WITH (5Z, 5'Z)-2,2'- (ETHANE-1,2-DIYLDISULFANYLDIYL)BIS(5-(2-PYRIDYLMETHYLENE)-3-ALLYL-3,5-DIHYDRO- 4H-IMIDAZOLE-4-ONE)
Analysis of the valence angles of the Si and carbon atoms of the C-S bond in the obtained complexes of CiVg2 c (5Z, 5'Z)-2,2’-(ethane-1,2-diyldisulfanyldiyl)bis(5-(2-pyridylmethylene)-3-allyl-3,5-dihydro-4Нimidazole-4-one) unambiguously indicates the determinant effect of the non-valent interactions of the electron density centroids of the NEP of bromine atoms and sulfur atoms, leading to a change in the plane structure of Cu(II) towards tetrahedral with a likely change in the magnetochemical properties of the copper atom, and the angle of rotation of the planes is almost 900. This interaction is the opposite of what is commonly called a halogen bond. In this case, it is an "anti-halogen" bond.
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