Issue 22, 2021

Consecutive methane activation mediated by single metal boride cluster anions NbB4

Abstract

Cleavage of all C–H bonds in two methane molecules by gas-phase cluster ions at room temperature is a challenging task. Herein, mass spectrometry and quantum chemical calculations have been used to identify one single metal boride cluster anions NbB4 that can activate eight C–H bonds in two methane molecules and release one H2 molecule each time under thermal collision conditions. In these consecutive reactions, the loaded Nb atoms and the support B4 units play different roles but act synergistically to activate CH4, which is responsible for the interesting reactivity of NbB4. Moreover, there are some mechanistic differences in these two reactions, including the mechanisms for the first C–H bond activation steps, dihydrogen desorption sites, and major electron donors. This study shows that non-noble metal boride species are reactive enough to facilitate thermal C–H bond cleavages, and boron-based materials may be one kind of potential support material facilitating surface hydrogen transport.

Graphical abstract: Consecutive methane activation mediated by single metal boride cluster anions NbB4−

Supplementary files

Article information

Article type
Paper
Submitted
01 Apr 2021
Accepted
10 May 2021
First published
12 May 2021

Phys. Chem. Chem. Phys., 2021,23, 12592-12599

Consecutive methane activation mediated by single metal boride cluster anions NbB4

Y. Li, M. Wang, Y. Ding, C. Zhao and J. Ma, Phys. Chem. Chem. Phys., 2021, 23, 12592 DOI: 10.1039/D1CP01418H

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