Anionic Halide路路路Alcohol Clusters in the Solid State
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- 作者：Pavel V. Gushchin ; Maxim L. Kuznetsov ; Matti Haukka ; Vadim Yu. Kukushkin
- 刊名：Journal of Physical Chemistry A
- 出版年：2014
- 出版时间：October 9, 2014
- 年：2014
- 卷：118
- 期：40
- 页码：9529-9539
- 全文大小：589K
- ISSN：1520-5215
文摘
The cationic (1,3,5-triazapentadiene)PtII complexes [1](Cl)2, [2](Cl)2, [3](Br)2, and [4](Cl)2, were crystallized from ROH-containing systems (R = Me, Et) providing alcohol solvates studied by X-ray diffraction. In the crystal structures of [1鈥?b>4][(Hal)2(ROH)2] (R = Me, Et), the Hal鈥?/sup> ion interacts with two or three cations [1鈥?b>4]2+ by means of two or three or four contacts thus uniting stacked arrays of complexes into the layers. The solvated MeOH or EtOH molecules occupy vacant space, giving contacts with [1鈥?b>4]2+, and connects to the Hal鈥?/sup> ion through a hydrogen bridge via the H(1O)O(1S) H atom forming, by means of the Hal鈥?/sup>路路路HOR (Hal = Cl, Br) contact, the halide鈥揳lcohol cluster. Properties of the Cl鈥?/sup>路路路HO(Me) H-bond in [1][(Cl)2(MeOH)2] were analyzed using theoretical DFT methods.