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双-[1,2-双-(二苯基膦基)乙烷]-镍(II)双-(三氟甲磺酸盐)在100 K时的晶体结构:一种可能的负热膨胀分子材料。

Crystal structure at 100 K of bis-[1,2-bis-(di-phenyl-phosphan-yl)ethane]-nickel(II) bis-(tri-fluoro-methane-sulfonate): a possible negative thermal expansion mol-ecular material.

作者信息

Cano-Benítez Cristian A, Metta-Magaña Alejandro J, Duarte-Ruiz Álvaro

机构信息

Departamento de Química, Universidad Nacional de Colombia, Ciudad Universitaria, Bogotá Kr 30 No 45-03, Colombia.

Department of Chemistry and Biochemistry, University of Texas at El Paso, 500 W University El Paso, Texas 79968, USA.

出版信息

Acta Crystallogr E Crystallogr Commun. 2018 Oct 31;74(Pt 11):1678-1681. doi: 10.1107/S2056989018014846. eCollection 2018 Nov 1.

Abstract

In the title salt, Ni(CHP) or [Ni(dppe)]·(OTf) [dppe = 1,2-bis-(di-phenyl-phosphan-yl)ethane and OTf = tri-fluoro-methane-sulfonate], the Ni atom (site symmetry ) has a square-planar geometry with the bidentate ligands chelating the metal. As a result of the steric hindrance of the phenyl rings, the counter-ions are blocked from the metal coordination sphere. The dynamic disorder of the anion existing at 296 K is reduced at 100 K and based on these two temperatures, negative thermal expansion behaviour is observed.

摘要

在标题盐Ni(CHP)或[Ni(dppe)]·(OTf) [dppe = 1,2 - 双(二苯基膦基)乙烷,OTf = 三氟甲磺酸根]中,Ni原子(位点对称性)具有平面正方形几何结构,双齿配体螯合该金属。由于苯环的空间位阻,抗衡离子被阻挡在金属配位球之外。在296 K时存在的阴离子动态无序在100 K时降低,基于这两个温度,观察到负热膨胀行为。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/4c44/6218916/112ad7919071/e-74-01678-fig1.jpg

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