A Dinuclear Pd Complex with the bis(Pyridyltriazole) Ligand m-xpt: [Pd2(m-xpt)2](DMSO)6(BF4)4

IF 0.6 4区化学 Q4 CRYSTALLOGRAPHY

Journal of Chemical Crystallography Pub Date : 2025-08-18 DOI:10.1007/s10870-025-01058-1

Sen Gao, Frank R. Fronczek, Andrew W. Maverick

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引用次数: 0

Abstract

The title compound (1) was synthesized through reaction between Pd(CH₃CN)₄(BF₄)₂ and m-xylylenebis(pyridyltriazole) (m-xpt) in a mixture of CH₂Cl₂ and CH₃CN. The solid product was crystallized by vapor diffusion of ethyl ether into a DMSO solution. In the crystal structure of 1, square-planar trans-[Pd(pyridyltriazole)₂]²⁺ groups are joined by m-xylylene bridges to make centrosymmetric [Pd₂(m-xpt)₂]⁴⁺ cations with Pd⋯Pd = 5.1337(4) Å. As in previously published structures with the isomeric o-xpt ligand, ([Ag₂(o-xpt)₂]²⁺ and [Pd₂(o-xpt)₂]⁴⁺), the Pd(pyridyltriazole)₂ planes in 1 make close π contact (3.302 Å); this is accomplished by twisting of the m-xpt bridging groups, so that the longer Pd⋯Pd vector makes a 40° angle with the Pd(pyridyltriazole)₂ planes.

Graphical Abstract

The crystal structure of the title compound shows a Pd⋯Pd distance approximately as expected (5.1337(4) Å), but with its m-xylylene groups twisted in order to permit close π–π interactions (3.302 Å) between its Pd(pyridyltriazole)₂ planes.

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具有双（吡啶基三唑）配体的双核Pd配合物m-xpt: [Pd2(m-xpt)2](DMSO)6(BF4)4

在CH2Cl2和CH3CN的混合物中，Pd(CH3CN)4(BF4)2与m-二甲苯双（吡啶基三唑）（m-xpt）反应合成了标题化合物(1)。固体产物通过乙醚的蒸气扩散到DMSO溶液中结晶。在1的晶体结构中，方形平面反式-[Pd（吡啶基三唑）2]2+基团通过m-二甲苯桥连接形成中心对称的[Pd2(m-xpt)2]4+阳离子，Pd⋯Pd = 5.1337(4) Å。与先前发表的同分异构体o-xpt配体结构([Ag2（o-xpt)2]2+和[Pd2(o-xpt)2]4+）一样，1中的Pd（吡啶基三唑）2面形成紧密的π接触（3.302 Å）；这是通过扭曲m-xpt桥接基团来实现的，因此较长的Pd⋯Pd向量与Pd（吡啶基三唑）2平面成40°角。标题化合物的晶体结构显示Pd⋯Pd距离近似预期（5.1337(4)Å），但其间二甲苯基团扭曲，以允许其Pd（吡啶基三唑）2平面之间的紧密π -π相互作用（3.302 Å）。

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来源期刊

Journal of Chemical Crystallography 化学-光谱学

CiteScore

1.50

自引率

12.50%

发文量

审稿时长

6.3 months

期刊介绍： Journal of Chemical Crystallography is an international and interdisciplinary publication dedicated to the rapid dissemination of research results in the general areas of crystallography and spectroscopy. Timely research reports detail topics in crystal chemistry and physics and their relation to problems of molecular structure; structural studies of solids, liquids, gases, and solutions involving spectroscopic, spectrometric, X-ray, and electron and neutron diffraction; and theoretical studies.