Carbide Dihydrides: Carbonaceous Species Identified in Ta4+‐Mediated Methane Dehydrogenation
Abstract
The products of methane dehydrogenation by gas‐phase Ta4+ clusters are structurally characterized using infrared multiple photon dissociation (IRMPD) spectroscopy in conjunction with quantum chemical calculations. The obtained spectra of [4Ta,C,2H]+ reveal a dominance of vibrational bands of a H2Ta4C+ carbide dihydride structure over those indicative for a HTa4CH+ carbyne hydride one, as is unambiguously verified by studies employing various methane isotopologues. Because methane dehydrogenation by metal cations M+ typically leads to the formation of either MCH2+ carbene or HMCH+ carbyne hydride structures, the observation of a H2MC+ carbide dihydride structure implies that it is imperative to consider this often‐neglected class of carbonaceous intermediates in the reaction of metals with hydrocarbons.
Document Details
- Document Type
- Pub Defense Publication
- Publication Date
- Oct 22, 2020
- Source ID
- 10.1002/anie.202010794
Entities
People
- Frank J Wensink
- Joost M Bakker
- Jozef Lengyel
- Martin Tschurl
- Nikita Levin
- Olga V Lushchikova
- Robert N Barnett
- Ueli Heiz
- Uzi Landman
Organizations
- Air Force Office of Scientific Research
- Alexander von Humboldt Foundation
- Dutch Research Council
- Georgia Tech
- German Research Foundation
- Horizon 2020
- Radboud University Nijmegen
- Technical University of Munich