取代基和金属对 CC σ-络合物稳定性的影响

IF 2.1 3区化学 Q3 CHEMISTRY, INORGANIC & NUCLEAR

Journal of Organometallic Chemistry Pub Date : 2024-10-24 DOI:10.1016/j.jorganchem.2024.123414

Yumeng Cao, Dean J. Tantillo

引用次数: 0

摘要

利用密度泛函理论计算研究了 CC 键与过渡金属之间的 σ 复合物中的三中心双电子键阵列。配体和金属的变化与这些阵列中成键相互作用强度的变化有关。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

Substituent and metal effects on CC σ-complex stabilization

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Substituent and metal effects on CC σ-complex stabilization

Three-center, two-electron bonding arrays in σ-complexes between CC bonds and transition metals were examined using density functional theory computations. Variations in ligands and metals were connected to variations in strengths of bonding interactions in these arrays.

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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.