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

Masashi Arakawa; Daichi Okada; Satoshi Kono; Akira Terasaki

doi:10.1021/acs.jpca.0c05819

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

Masashi Arakawa, Daichi Okada, Satoshi Kono, Akira Terasaki

Physical Chemistry

Research output: Contribution to journal › Article › peer-review

2 Citations (Scopus)

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 language	English
Pages (from-to)	9751-9756
Number of pages	6
Journal	Journal of Physical Chemistry A
Volume	124
Issue number	47
DOIs	https://doi.org/10.1021/acs.jpca.0c05819
Publication status	Published - Nov 25 2020

All Science Journal Classification (ASJC) codes

Physical and Theoretical Chemistry

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10.1021/acs.jpca.0c05819

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title = "Preadsorption Effect of Carbon Monoxide on Reactivity of Cobalt Cluster Cations toward Hydrogen",

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+.",

author = "Masashi Arakawa and Daichi Okada and Satoshi Kono and Akira Terasaki",

note = "Funding Information: This work was supported by Grants-in-Aid for Scientific Research (A) (JP18H03901) and for Scientific Research (C) (JP19K05185) from the Japan Society for Promotion of Science (JSPS), and for Scientific Research on Innovative Areas (JP16H00938 and JP17H06456) from the Ministry of Education, Culture, Sports, Science and Technology (MEXT). The computational work was carried out using the computer facilities at the Research Institute for Information Technology, Kyushu University. Publisher Copyright: {\textcopyright} ",

year = "2020",

month = nov,

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doi = "10.1021/acs.jpca.0c05819",

language = "English",

volume = "124",

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TY - JOUR

T1 - Preadsorption Effect of Carbon Monoxide on Reactivity of Cobalt Cluster Cations toward Hydrogen

AU - Arakawa, Masashi

AU - Okada, Daichi

AU - Kono, Satoshi

AU - Terasaki, Akira

N1 - Funding Information: This work was supported by Grants-in-Aid for Scientific Research (A) (JP18H03901) and for Scientific Research (C) (JP19K05185) from the Japan Society for Promotion of Science (JSPS), and for Scientific Research on Innovative Areas (JP16H00938 and JP17H06456) from the Ministry of Education, Culture, Sports, Science and Technology (MEXT). The computational work was carried out using the computer facilities at the Research Institute for Information Technology, Kyushu University. Publisher Copyright: ©

PY - 2020/11/25

Y1 - 2020/11/25

N2 - 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+.

AB - 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+.

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AN - SCOPUS:85096614134

SN - 1089-5639

VL - 124

SP - 9751

EP - 9756

JO - Journal of Physical Chemistry A

JF - Journal of Physical Chemistry A

IS - 47

ER -

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

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