{"title":"发光环甲基化铬（III）络合物","authors":"Laura Stein, Christoph Förster, Katja Heinze","doi":"10.1021/acs.organomet.4c00075","DOIUrl":null,"url":null,"abstract":"Tris(cyclometalated) chromium(III) complexes <i>fac</i>-Cr(C<sup>∧</sup>X)<sub>3</sub> with dimethylamine (X = NMe<sub>2</sub>, <b><i>fac</i>-1</b>) and diphenylphosphane (X = PPh<sub>2</sub>, <b><i>fac</i>-2</b>) donors were fully characterized by single crystal X-ray structure analyses, cyclic voltammetry, and absorption/emission spectroscopy. Both complexes are luminescent in the near-infrared spectral region in the solid state or in frozen solution. The phosphane complex <b><i>fac</i>-2</b> is hemilabile and forms a weakly emissive, five-coordinate complex with a dangling PPh<sub>2</sub> donor in fluid solution. Spectroscopic assignments are aided by quantum chemical calculations at the DFT and CASSCF/NEVPT2 levels of theory. <b><i>fac</i>-1</b> and <b><i>fac</i>-2</b> complement the cyclometalated pyridine complex <i>fac</i>-Cr(ppy)<sub>3</sub> (ppy<sup>–</sup> = deprotonated 2-phenylpyridine) and allow establishment of a nephelauxetic series of aryl, pyridine, phosphane, and amine donors.","PeriodicalId":56,"journal":{"name":"Organometallics","volume":null,"pages":null},"PeriodicalIF":2.5000,"publicationDate":"2024-04-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Luminescent Cyclometalated Chromium(III) Complexes\",\"authors\":\"Laura Stein, Christoph Förster, Katja Heinze\",\"doi\":\"10.1021/acs.organomet.4c00075\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"Tris(cyclometalated) chromium(III) complexes <i>fac</i>-Cr(C<sup>∧</sup>X)<sub>3</sub> with dimethylamine (X = NMe<sub>2</sub>, <b><i>fac</i>-1</b>) and diphenylphosphane (X = PPh<sub>2</sub>, <b><i>fac</i>-2</b>) donors were fully characterized by single crystal X-ray structure analyses, cyclic voltammetry, and absorption/emission spectroscopy. Both complexes are luminescent in the near-infrared spectral region in the solid state or in frozen solution. The phosphane complex <b><i>fac</i>-2</b> is hemilabile and forms a weakly emissive, five-coordinate complex with a dangling PPh<sub>2</sub> donor in fluid solution. Spectroscopic assignments are aided by quantum chemical calculations at the DFT and CASSCF/NEVPT2 levels of theory. <b><i>fac</i>-1</b> and <b><i>fac</i>-2</b> complement the cyclometalated pyridine complex <i>fac</i>-Cr(ppy)<sub>3</sub> (ppy<sup>–</sup> = deprotonated 2-phenylpyridine) and allow establishment of a nephelauxetic series of aryl, pyridine, phosphane, and amine donors.\",\"PeriodicalId\":56,\"journal\":{\"name\":\"Organometallics\",\"volume\":null,\"pages\":null},\"PeriodicalIF\":2.5000,\"publicationDate\":\"2024-04-17\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Organometallics\",\"FirstCategoryId\":\"92\",\"ListUrlMain\":\"https://doi.org/10.1021/acs.organomet.4c00075\",\"RegionNum\":3,\"RegionCategory\":\"化学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q2\",\"JCRName\":\"CHEMISTRY, INORGANIC & NUCLEAR\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Organometallics","FirstCategoryId":"92","ListUrlMain":"https://doi.org/10.1021/acs.organomet.4c00075","RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"CHEMISTRY, INORGANIC & NUCLEAR","Score":null,"Total":0}
Tris(cyclometalated) chromium(III) complexes fac-Cr(C∧X)3 with dimethylamine (X = NMe2, fac-1) and diphenylphosphane (X = PPh2, fac-2) donors were fully characterized by single crystal X-ray structure analyses, cyclic voltammetry, and absorption/emission spectroscopy. Both complexes are luminescent in the near-infrared spectral region in the solid state or in frozen solution. The phosphane complex fac-2 is hemilabile and forms a weakly emissive, five-coordinate complex with a dangling PPh2 donor in fluid solution. Spectroscopic assignments are aided by quantum chemical calculations at the DFT and CASSCF/NEVPT2 levels of theory. fac-1 and fac-2 complement the cyclometalated pyridine complex fac-Cr(ppy)3 (ppy– = deprotonated 2-phenylpyridine) and allow establishment of a nephelauxetic series of aryl, pyridine, phosphane, and amine donors.
期刊介绍：
Organometallics is the flagship journal of organometallic chemistry and records progress in one of the most active fields of science, bridging organic and inorganic chemistry. The journal publishes Articles, Communications, Reviews, and Tutorials (instructional overviews) that depict research on the synthesis, structure, bonding, chemical reactivity, and reaction mechanisms for a variety of applications, including catalyst design and catalytic processes; main-group, transition-metal, and lanthanide and actinide metal chemistry; synthetic aspects of polymer science and materials science; and bioorganometallic chemistry.
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