Preadsorption Effect of Carbon Monoxide on Reactivity of Cobalt Cluster Cations toward Hydrogen

Masashi Arakawa, Daichi Okada, Satoshi Kono, Akira Terasaki

Research output: Contribution to journalArticlepeer-review

Abstract

We report gas-phase reactions of free Con(CO)m+ (n = 3-11, m = 0-2) with H2, expecting a catalytic reaction of coadsorbed CO and H2 on Con+. Preadsorption of CO molecules is found to promote H2 adsorption, in particular, on Con(CO)+ (n = 5, 8-10). Density functional theory (DFT) calculations reveal that the reactivity is governed by the molecular-orbital energy of Con+, which is tuned by preadsorbed CO molecules. Collision-induced-dissociation experiments performed on ConCOH2+ (n = 8-10) imply that at least some of the CO and H2 molecules are bound together on Con+.

Original languageEnglish
Pages (from-to)9751-9756
Number of pages6
JournalJournal of Physical Chemistry A
Volume124
Issue number47
DOIs
Publication statusPublished - Nov 25 2020

All Science Journal Classification (ASJC) codes

  • Physical and Theoretical Chemistry

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