光化学诱导合成[PtIV(C^C*)(acac)Cl(CXCl2)] X = H, D 复合物

IF 2.1 3区化学 Q3 CHEMISTRY, INORGANIC & NUCLEAR

Journal of Organometallic Chemistry Pub Date : 2024-08-10 DOI:10.1016/j.jorganchem.2024.123306

Felix Wurl, Sergej Stipurin, Thomas Strassner

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引用次数: 0

摘要

室温下，在氯仿（CHCl3）/去氯仿（CDCl3）溶液中，用蓝光照射环甲基化的 N-杂环碳烯（NHC）铂（II）络合物时，加入溶剂会产生一类新的铂（IV）络合物。根据密度泛函理论计算（PBE0(D3)/def2-tzvpp），反式加成对应于热力学上有利的产物，而密度泛函理论计算则预测顺式异构体在能量上不利。该复合物还利用单晶衍射法进行了表征，从而明确证实了所报告的结构。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

Photochemically induced synthesis of a [PtIV(C^C*)(acac)Cl(CXCl2)] X = H, D complex

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Photochemically induced synthesis of a [PtIV(C^C*)(acac)Cl(CXCl2)] X = H, D complex

Addition of the solvent to a cyclometalated N-heterocyclic carbene (NHC) platinum(II) complex at room temperature in chloroform (CHCl₃)/deuterochloroform (CDCl₃) solution when irradiated with blue light yields a new class of platinum(IV) complexes. The trans-addition corresponds to the thermodynamically favoured product according to density functional theory calculations (PBE0(D3)/def2-tzvpp) which predict the cis-isomer to be energetically disfavoured. The complex is also characterized using single crystal diffraction thereby unambiguously confirming the reported structure.

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来源期刊

Journal of Organometallic Chemistry 化学-无机化学与核化学

CiteScore

4.40

自引率

8.70%

发文量

221

审稿时长

36 days

期刊介绍： The Journal of Organometallic Chemistry targets original papers dealing with theoretical aspects, structural chemistry, synthesis, physical and chemical properties (including reaction mechanisms), and practical applications of organometallic compounds. Organometallic compounds are defined as compounds that contain metal - carbon bonds. The term metal includes all alkali and alkaline earth metals, all transition metals and the lanthanides and actinides in the Periodic Table. Metalloids including the elements in Group 13 and the heavier members of the Groups 14 - 16 are also included. The term chemistry includes syntheses, characterizations and reaction chemistry of all such compounds. Research reports based on use of organometallic complexes in bioorganometallic chemistry, medicine, material sciences, homogeneous catalysis and energy conversion are also welcome. The scope of the journal has been enlarged to encompass important research on organometallic complexes in bioorganometallic chemistry and material sciences, and of heavier main group elements in organometallic chemistry. The journal also publishes review articles, short communications and notes.