Synthesis of the Trans-bidentate Ligand 1,2-Bis(Quinolin-2-ylethynyl)Benzene and the X-ray Crystal Structure of Its Complex with Palladium(II) Chloride

IF 0.4 4区化学 Q4 CRYSTALLOGRAPHY

Journal of Chemical Crystallography Pub Date : 2023-07-26 DOI:10.1007/s10870-023-00988-y

Luke L. Hair, Megan M. Smart, Colin D. McMillen, Nicholas A. Ribeiro, Jared A. Pienkos

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Abstract

A new trans-bidentate ligand, 1,2-bis(quinolin-2-ylethynyl)benzene, was synthesized and coordinated to PdCl₂. The structure of the acetonitrile solvate of this species was determined by single-crystal X-ray diffraction. The complex crystallizes in the orthorhombic space group Ibam, with a = 25.0726(18) Å, b = 11.7373(6) Å, and c = 18.9700(10) Å in a layered structure. When bound to 1,2-bis(quinolin-2-ylethynyl)benzene, the Pd(II) metal center displays a distorted square planar geometry. This coordination complex was compared to PdCl₂-coordinated 1,2-bis(2-pyridylethynyl)benzene, a previously reported trans-bidentate ligand. Structural comparison indicated that the binding pocket for these two trans-bidentate ligands are similar, though the 1,2-bis(quinolin-2-ylethynyl)benzene ligand is somewhat more planar.

Graphical Abstract

A new trans-bidentate ligand, 1,2-bis(quinolin-2-ylethynyl)benzene (BQEB), was synthesized and coordinated to PdCl₂.

Abstract Image

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反式双齿配体1,2-双（喹啉-2-基乙炔基）苯的合成及其与氯化钯配合物的X射线晶体结构

合成了一种新的跨双齿配体1,2-双(喹啉-2-乙基)苯，并与PdCl2配位。用单晶x射线衍射测定了该化合物的乙腈溶剂的结构。该配合物在正交空间群Ibam中结晶，a = 25.0726(18) Å， b = 11.7373(6) Å， c = 18.9700(10) Å呈层状结构。当与1,2-二(喹啉-2-乙炔基)苯结合时，Pd(II)金属中心显示出扭曲的方形平面几何形状。该配合物与pdcl2配位的1,2-双(2-吡啶乙基)苯进行了比较，后者是一种先前报道的跨双齿配体。结构比较表明，这两种反双齿配体的结合袋相似，但1,2-双(喹啉-2-乙基)苯配体的结合袋更平面。摘要合成了一种新的跨双齿配体，1,2-双(喹啉-2-乙基乙基)苯(BQEB)，并与PdCl2配位。

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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.