Copper(II) Mononuclear Complexes Incorporating Pyridine Derivatives: Synthesis, Structural Characterization, and Unusual X-Band epr Spectra

IF 0.4 4区化学 Q4 CRYSTALLOGRAPHY Journal of Chemical Crystallography Pub Date : 2022-03-12 DOI:10.1007/s10870-022-00926-4

R. N. Patel, D. Kumhar, S. K. Patel, A. K. Patel, N. Patel, R. J. Butcher

{"title":"Copper(II) Mononuclear Complexes Incorporating Pyridine Derivatives: Synthesis, Structural Characterization, and Unusual X-Band epr Spectra","authors":"R. N. Patel, D. Kumhar, S. K. Patel, A. K. Patel, N. Patel, R. J. Butcher","doi":"10.1007/s10870-022-00926-4","DOIUrl":null,"url":null,"abstract":"<div>Two new copper(II) complexes [Cu(L1)2(NO3)]NO31 and [Cu(L2)(H2O)2](NO3)22(L1 = 2(2-pyridyl)benzimidazole and L2 = 2-benzoylpyridine) have been prepared and characterized by elemental and spectral (UV–visible, FTIR and epr) techniques. Crystal structures of these complexes were determined using single crystal X-ray diffraction analysis. The low value of magnetic moments 1.75 BM for 1 and 1.73 BM for 2 and unusual X-band epr spectral pattern authenticate the antiferromagnetic behavior of complexes. The single crystal X-ray analysis reveals the development of supramolecular architectures through various non-covalent weak interactions such as CH \\(\\cdots\\uppi\\) and lp \\(\\cdots\\uppi\\) interactions. In order to see the stability of complexes, density functional theory (DFT) calculations were carried out. From the energy gap (ΔE) of frontier molecular orbitals (various molecular descriptors were also evaluated. In addition, superoxide dismutase SOD) activities of both complexes were also determined. The enhanced SOD activity of 1 is due to loosely bound nitrate ion.<h3>Graphical Abstract</h3>Two new copper(II) complexes [Cu(L1)2(NO3)]NO3 and [Cu(L2)(H2O)2](NO3)2 (L1= 2(2-pyridyl)benzimidazole and L2= 2-benzoylpyridine) have been prepared and characterized by elemental, spectral, and single crystal diffraction techniques\n <figure><div><div><div><picture><source><img></source></picture></div></div></div></figure>\n </div>","PeriodicalId":615,"journal":{"name":"Journal of Chemical Crystallography","volume":"52 3","pages":"378 - 393"},"PeriodicalIF":0.4000,"publicationDate":"2022-03-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Journal of Chemical Crystallography","FirstCategoryId":"92","ListUrlMain":"https://link.springer.com/article/10.1007/s10870-022-00926-4","RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q4","JCRName":"CRYSTALLOGRAPHY","Score":null,"Total":0}

引用次数: 0

Abstract

Two new copper(II) complexes [Cu(L¹)₂(NO₃)]NO₃1 and [Cu(L²)(H₂O)₂](NO₃)₂2(L¹ = 2(2-pyridyl)benzimidazole and L² = 2-benzoylpyridine) have been prepared and characterized by elemental and spectral (UV–visible, FTIR and epr) techniques. Crystal structures of these complexes were determined using single crystal X-ray diffraction analysis. The low value of magnetic moments 1.75 BM for 1 and 1.73 BM for 2 and unusual X-band epr spectral pattern authenticate the antiferromagnetic behavior of complexes. The single crystal X-ray analysis reveals the development of supramolecular architectures through various non-covalent weak interactions such as CH \(\cdots\uppi\) and lp \(\cdots\uppi\) interactions. In order to see the stability of complexes, density functional theory (DFT) calculations were carried out. From the energy gap (ΔE) of frontier molecular orbitals (various molecular descriptors were also evaluated. In addition, superoxide dismutase SOD) activities of both complexes were also determined. The enhanced SOD activity of 1 is due to loosely bound nitrate ion.

Graphical Abstract

Two new copper(II) complexes [Cu(L¹)₂(NO₃)]NO₃ and [Cu(L²)(H₂O)₂](NO₃)₂ (L¹= 2(2-pyridyl)benzimidazole and L²= 2-benzoylpyridine) have been prepared and characterized by elemental, spectral, and single crystal diffraction techniques

Abstract Image

查看原文

微信好友朋友圈 QQ好友复制链接

本刊更多论文

含吡啶衍生物的铜(II)单核配合物:合成、结构表征和异常x波段epr光谱

制备了两个新的铜(II)配合物[Cu(L1)2(NO3)]NO31和[Cu(L2)(H2O)2](NO3)22(L1 = 2(2-吡啶基)苯并咪唑和L2 = 2-苯甲酰吡啶)，并采用元素和光谱(紫外可见、红外光谱和epr)技术对其进行了表征。用单晶x射线衍射分析确定了这些配合物的晶体结构。1的低磁矩为1.75 BM, 2的低磁矩为1.73 BM, x波段epr谱图异常，证实了配合物的反铁磁行为。单晶x射线分析揭示了通过各种非共价弱相互作用(如CH \(\cdots\uppi\)和lp \(\cdots\uppi\)相互作用)形成的超分子结构。为了观察配合物的稳定性，进行了密度泛函理论(DFT)计算。从分子边界轨道的能隙(ΔE)对各种分子描述符进行了评价。测定了两种复合物的超氧化物歧化酶(SOD)活性。1的SOD活性增强是由于硝酸盐离子的松散结合。摘要制备了两种新的铜(II)配合物[Cu(L1)2(NO3)]NO3和[Cu(L2)(H2O)2](NO3)2 (L1= 2(2-吡啶基)苯并咪唑和L2= 2-苯甲酰吡啶)，并用元素、光谱和单晶衍射技术对其进行了表征

本文章由计算机程序翻译，如有差异，请以英文原文为准。

求助全文

约1分钟内获得全文去求助

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.