A Reaction‐Induced Localization of Spin Density Enables Thermal C−H Bond Activation of Methane by Pristine FeC4

The reactivity of the cationic metal‐carbon cluster FeC4+ towards methane has been studied experimentally using Fourier‐transform ion cyclotron resonance mass spectrometry and computationally by high‐level quantum chemical calculations. At room temperature, FeC4H+ is formed as the main ionic product...

Full description

Saved in:

Bibliographic Details
Published in:	Chemistry : a European journal Vol. 25; no. 56; pp. 12940 - 12945
Main Authors:	Geng, Caiyun, Li, Jilai, Weiske, Thomas, Schwarz, Helmut
Format:	Journal Article
Language:	English
Published:	Weinheim Wiley Subscription Services, Inc 08.10.2019 John Wiley and Sons Inc
Subjects:	Carbon Chemistry Computer applications Cyclotron resonance Density gas-phase reaction Hydrogen Hydrogen bonds hydrogen-atom transfer Localization Mass spectrometry Mass spectroscopy Mathematical analysis metal carbide Metal carbides Methane methane activation Molecular chains Organic chemistry quantum chemical calculation Quantum chemistry
ISSN:	0947-6539, 1521-3765, 1521-3765
Online Access:	Get full text
Tags:	Add Tag No Tags, Be the first to tag this record!

Be the first to leave a comment!