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[双(2,6-二异丙基苯基)磷酸根合-κ]五(甲醇-κ)锰双(2,6-二异丙基苯基)磷酸甲醇三溶剂合物

[Bis(2,6-diiso-propyl-phen-yl) phosphato-κ]pentakis-(methanol-κ)manganese bis-(2,6-diiso-propyl-phen-yl) phosphate methanol tris-olvate.

作者信息

Minyaev Mikhail E, Tavtorkin Alexander N, Korchagina Sof'ya A, Nifant'ev Ilya E, Churakov Andrei V, Dmitrienko Artem O, Lyssenko Konstantin A

机构信息

A.V. Topchiev Institute of Petrochemical Synthesis, Russian Academy of Sciences, 29 Leninsky Prospect, 119991, Moscow, Russian Federation.

Chemistry Department, M.V. Lomonosov Moscow State University, 1 Leninskie Gory Str., Building 3, Moscow 119991, Russian Federation.

出版信息

Acta Crystallogr E Crystallogr Commun. 2018 Sep 14;74(Pt 10):1433-1438. doi: 10.1107/S2056989018012859. eCollection 2018 Oct 1.

DOI:10.1107/S2056989018012859
PMID:30319795
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC6176441/
Abstract

The title compound, Mn(CHOP)(CHOH)·3CHOH, was formed in the reaction between a hydrate of a manganese(II) salt [either Mn(NO)(HO) or MnCl(HO)] with a methanol solvate of lithium bis-(2,6-diiso-propyl-phen-yl) phosphate, {Li[OOP(O-2,6- PrCH)]·(CHO)}·CHO, in methanol. The structure has monoclinic () symmetry at 150 K. The complex consists of an [Mn{OOP(O-2,6- PrCH)}(CHOH)] cation, an [OOP(O-2,6- PrCH)] anion and three non-coordinating methanol mol-ecules. The anion demonstrates disorder of an isopropyl group [occupancy ratio is 0.57 (4):0.43 (4)]. The di-aryl-phosphate ligand in the cation exhibits a κ terminal coordination mode. The Mn atom is in a nearly unperturbed octa-hedral environment. The [Mn{OOP(O-2,6- PrCH)}(CHOH)] cation exhibits one intra-molecular O-H⋯O bond, and is coordinated two inter-molecular O-H⋯O hydrogen bonds to the [OOP(O-2,6- PrCH)] anion. The cations, anions and non-coordinating methanol mol-ecules are linked into infinite chains along the -axis direction 0-H⋯O hydrogen bonding. The complex is of inter-est as a possible inhibitor for the thermal decomposition of polydi-methyl-siloxane. The crystal studied was refined as an inversion twin with a domain ratio of 0.47 (3):0.53 (3).

摘要

标题化合物Mn(CHOP)(CHOH)·3CHOH是由锰(II)盐水合物[Mn(NO)(HO)或MnCl(HO)]与双(2,6-二异丙基苯基)磷酸锂的甲醇溶剂合物{Li[OOP(O-2,6-PrCH)]·(CHO)}·CHO在甲醇中反应形成的。该结构在150 K时具有单斜()对称性。该配合物由[Mn{OOP(O-2,6-PrCH)}(CHOH)]阳离子、[OOP(O-2,6-PrCH)]阴离子和三个非配位甲醇分子组成。阴离子表现出异丙基的无序性[占有率为0.57 (4):0.43 (4)]。阳离子中的二芳基磷酸配体表现出κ末端配位模式。Mn原子处于几乎未受干扰的八面体环境中。[Mn{OOP(O-2,6-PrCH)}(CHOH)]阳离子表现出一个分子内O-H⋯O键,并与[OOP(O-2,6-PrCH)]阴离子形成两个分子间O-H⋯O氢键。阳离子、阴离子和非配位甲醇分子通过0-H⋯O氢键沿轴方向连接成无限链。该配合物作为聚二甲基硅氧烷热分解的可能抑制剂具有研究意义。所研究的晶体被精修为反转孪晶,畴比为0.47 (3):0.53 (3)。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/de39/6176441/ea5db8188f33/e-74-01433-fig4.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/de39/6176441/11af79fa15c0/e-74-01433-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/de39/6176441/fa12a3dbc83d/e-74-01433-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/de39/6176441/869178029afb/e-74-01433-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/de39/6176441/ea5db8188f33/e-74-01433-fig4.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/de39/6176441/11af79fa15c0/e-74-01433-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/de39/6176441/fa12a3dbc83d/e-74-01433-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/de39/6176441/869178029afb/e-74-01433-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/de39/6176441/ea5db8188f33/e-74-01433-fig4.jpg

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