Institut für Chemie, Technische Universität Berlin, Strasse des 17. Juni 135, 10623 Berlin (Germany).
Institute of Theoretical Chemistry, Jilin University, Changchun, 130023 (People's Republic of China).
Angew Chem Int Ed Engl. 2016 Jan 4;55(1):441-4. doi: 10.1002/anie.201509320. Epub 2015 Nov 18.
The thermal reactions of the closed-shell, "naked" gold-carbene complex Au(CH2) with methane have been explored by using FTICR mass spectrometry complemented by quantum chemical (QC) calculations at the CCSD(T)//BMK level of theory. Mechanistic aspects for this unprecedentedly efficient carbene insertion in the C-H bond of methane have been addressed and the origin of the counterintuitive high reactivity of Au(CH2) towards this most inert hydrocarbon is discussed.
采用傅立叶变换离子回旋共振质谱（FTICR-MS）联用技术，并结合 CCSD(T)//BMK 理论水平的量子化学（QC）计算，对“裸”金卡宾配合物[Au(CH2)]+与甲烷的封闭壳层热反应进行了研究。本文探讨了甲烷 C-H 键中前所未有的高效卡宾插入反应的反应机理，并讨论了[Au(CH2)]+与这种最惰性的碳氢化合物具有反常高反应性的起源。
