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By investigating the experimental electron paramagnetic resonance (EPR) and ultraviolet\u2013visible (UV\u2013vis) spectra of [CuCl(C<jats:sub>6<\/jats:sub>H<jats:sub>10<\/jats:sub>N<jats:sub>2<\/jats:sub>)<jats:sub>4<\/jats:sub>]Cl, [CuCl(C<jats:sub>6<\/jats:sub>H<jats:sub>10<\/jats:sub>N<jats:sub>2<\/jats:sub>)<jats:sub>4<\/jats:sub>]Cl, [CuCl<jats:sub>2<\/jats:sub>(C<jats:sub>4<\/jats:sub>H<jats:sub>6<\/jats:sub>N<jats:sub>2<\/jats:sub>)<jats:sub>4<\/jats:sub>], and [Cu<jats:sub>2<\/jats:sub>Cl<jats:sub>2<\/jats:sub>(C<jats:sub>5<\/jats:sub>H<jats:sub>8<\/jats:sub>N<jats:sub>2<\/jats:sub>)<jats:sub>6<\/jats:sub>]Cl<jats:sub>2<\/jats:sub>\u00b72H<jats:sub>2<\/jats:sub>O, the local structure of the corresponding Cu<jats:sup>2+<\/jats:sup> centers and the role of different ligands are obtained. Based on the well\u2010agreed EPR parameters and the d\u2010d transitions (10<jats:italic>D<\/jats:italic><jats:sub><jats:italic>q<\/jats:italic><\/jats:sub>), the four Cu<jats:sup>2+<\/jats:sup> centers show tetragonal and orthorhombic distortion, corresponding to the different anisotropies of EPR signals. In addition, the general rules of governing the impact of methanol in imidazolylalkyl derivatives are also discussed, especially the influence on the local environment (symmetry, distortion, covalency, and crystal field) of above four copper(II) chloride anionic coordination complexes. Therefore, the obtained results in this study will be beneficial to provide a theoretical basis for the experimental design of desired copper\u2010containing imidazolyl alkyl derivatives.<\/jats:p>","DOI":"10.1002\/mrc.5470","type":"journal-article","created":{"date-parts":[[2024,6,13]],"date-time":"2024-06-13T01:33:48Z","timestamp":1718242428000},"page":"723-731","update-policy":"https:\/\/doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":0,"title":["A theoretical study of the electron paramagnetic resonance spectra and local environment in copper(II) complexes with different imidazole and chlorido ligands"],"prefix":"10.1002","volume":"62","author":[{"given":"Jun\u2010Shan","family":"Hu","sequence":"first","affiliation":[{"name":"School of Science Xihua University  Chengdu China"},{"name":"Key Laboratory of Advanced Scientific Computation Xihua University  Chengdu China"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Xin\u2010Xin","family":"Wang","sequence":"additional","affiliation":[{"name":"School of Science Xihua University  Chengdu China"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Si\u2010Qi","family":"Li","sequence":"additional","affiliation":[{"name":"School of Science Xihua University  Chengdu China"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Jia\u2010Man","family":"Li","sequence":"additional","affiliation":[{"name":"School of Science Xihua University  Chengdu China"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-4748-6138","authenticated-orcid":false,"given":"Chang\u2010Chun","family":"Ding","sequence":"additional","affiliation":[{"name":"School of Science Xihua University  Chengdu China"},{"name":"Key Laboratory of Advanced Scientific Computation Xihua University  Chengdu China"}],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"311","published-online":{"date-parts":[[2024,6,12]]},"reference":[{"key":"e_1_2_7_2_1","doi-asserted-by":"publisher","DOI":"10.3389\/fmolb.2022.1107686"},{"key":"e_1_2_7_3_1","doi-asserted-by":"publisher","DOI":"10.3390\/catal12111408"},{"key":"e_1_2_7_4_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.poly.2013.08.039"},{"key":"e_1_2_7_5_1","doi-asserted-by":"publisher","DOI":"10.1039\/C8NJ04041A"},{"key":"e_1_2_7_6_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.molstruc.2018.06.088"},{"key":"e_1_2_7_7_1","doi-asserted-by":"publisher","DOI":"10.1146\/annurev.biochem.72.121801.161647"},{"key":"e_1_2_7_8_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.radphyschem.2017.05.010"},{"key":"e_1_2_7_9_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.rbc.2023.100009"},{"key":"e_1_2_7_10_1","doi-asserted-by":"publisher","DOI":"10.1146\/annurev-biochem-030409-143539"},{"key":"e_1_2_7_11_1","doi-asserted-by":"publisher","DOI":"10.1039\/D3GC01828H"},{"key":"e_1_2_7_12_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.cej.2022.140230"},{"issue":"6","key":"e_1_2_7_13_1","first-page":"967","volume":"41","author":"Sobolev A. 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