Flash Communication: High-Pressure Synthesis and Post-synthetic Elimination of N2 Molecule of the Chromium Dinitrogen Complex, [Cr(PCy3)2(CO)3(N2)]

IF 2.9 3区化学 Q2 CHEMISTRY, INORGANIC & NUCLEAR Organometallics Pub Date : 2024-11-06 DOI:10.1021/acs.organomet.4c00373

Kaiji Uchida*, Taku Kitayama, Shunya Tanaka, Shuta Adachi, Hiroaki Iguchi, Ryota Sakamoto and Shinya Takaishi*,

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Abstract

Dinitrogen complexes have garnered significant attention due to their potential applications across various fields. The synthesis and characterization of novel dinitrogen complexes are essential to advancing this area of research. In this study, we report the bulk synthesis and first successful single crystal X-ray structure analysis of [Cr(PCy₃)₂(CO)₃(N₂)] using high-pressure nitrogen at 50 atm. The presence of the nitrogen ligand was confirmed by infrared (IR) spectroscopy and elemental analysis, and the interesting disorder phenomenon between N₂ and CO ligands was also observed. The elimination process of the N₂ ligand was monitored by a combination of thermogravimetry (TG) and temperature-programmed desorption (TPD), and the changes in the color, IR spectrum, and UV–vis spectrum of the complexes before and after elimination were investigated. These experimental results agree well with the results of density functional theory (DFT) calculations.

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闪光通讯：铬二氮配合物[Cr(PCy3)2(CO)3(N2)]的高压合成及合成后N2分子的消除

二氮配合物由于其在各个领域的潜在应用而引起了人们的极大关注。新型二氮配合物的合成和表征对推进这一领域的研究至关重要。在这项研究中，我们报道了在50 atm高压氮气条件下体合成[Cr(PCy3)2(CO)3(N2)]并首次成功地进行了单晶x射线结构分析。通过红外光谱和元素分析证实了氮配体的存在，并观察到N2和CO配体之间有趣的无序现象。采用热重法（TG）和程序升温解吸法（TPD）相结合的方法对N2配体的消除过程进行了监测，考察了消除前后配合物的颜色、红外光谱和紫外-可见光谱的变化。实验结果与密度泛函理论（DFT）计算结果吻合较好。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

Organometallics 化学-无机化学与核化学

CiteScore

5.60

自引率

7.10%

发文量

382

审稿时长

1.7 months

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.