Skip to main content

Lund University Publications

LUND UNIVERSITY LIBRARIES

Hydrogenation of CO2 to Methanol by a Nickel Pincer Catalyst and Mechanistic Investigations by Density Functional Theory Studies

Mishra, Aman ; Makhal, Koushik ; Raj, Dev ; Pasupalak, Swarnasree ; Mallik, Bhabani S. ; Nordlander, Ebbe LU and Padhi, Sumanta Kumar (2025) In European Journal of Inorganic Chemistry 28(21).
Abstract

The hydrogenation of CO2 into methanol by a nickel pincer catalyst has been studied in both aqueous and solid–gas phases. Hydrogenation occurs at the moderate temperatures of 60–95 °C. The solid–gas phase reaction is found to be more efficient than the aqueous reaction. At 95 °C and 1 MPa of H2/CO2 (3:1), 18 μmol of methanol is generated in the optimized solid–gas phase reaction versus 10 μmol in the aqueous phase. Methanol generation is also verified by hydrogenating 13CO2 in the presence of KOH/KOD. The density functional theory studies support the mechanistic investigations for hydrogenating CO2 into methanol.

Please use this url to cite or link to this publication:
author
; ; ; ; ; and
organization
publishing date
type
Contribution to journal
publication status
published
subject
keywords
CO, hydrogenation, methanol, nickel, pincer complex
in
European Journal of Inorganic Chemistry
volume
28
issue
21
article number
e202500138
publisher
John Wiley & Sons Inc.
external identifiers
  • scopus:105011209324
ISSN
1434-1948
DOI
10.1002/ejic.202500138
language
English
LU publication?
yes
additional info
Publisher Copyright: © 2025 Wiley-VCH GmbH.
id
0d2d618b-fd7e-4dde-a755-9be21f4eed64
date added to LUP
2025-12-05 15:50:43
date last changed
2025-12-19 14:11:47
@article{0d2d618b-fd7e-4dde-a755-9be21f4eed64,
  abstract     = {{<p>The hydrogenation of CO<sub>2</sub> into methanol by a nickel pincer catalyst has been studied in both aqueous and solid–gas phases. Hydrogenation occurs at the moderate temperatures of 60–95 °C. The solid–gas phase reaction is found to be more efficient than the aqueous reaction. At 95 °C and 1 MPa of H<sub>2</sub>/CO<sub>2</sub> (3:1), 18 μmol of methanol is generated in the optimized solid–gas phase reaction versus 10 μmol in the aqueous phase. Methanol generation is also verified by hydrogenating <sup>13</sup>CO<sub>2</sub> in the presence of KOH/KOD. The density functional theory studies support the mechanistic investigations for hydrogenating CO<sub>2</sub> into methanol.</p>}},
  author       = {{Mishra, Aman and Makhal, Koushik and Raj, Dev and Pasupalak, Swarnasree and Mallik, Bhabani S. and Nordlander, Ebbe and Padhi, Sumanta Kumar}},
  issn         = {{1434-1948}},
  keywords     = {{CO; hydrogenation; methanol; nickel; pincer complex}},
  language     = {{eng}},
  month        = {{07}},
  number       = {{21}},
  publisher    = {{John Wiley & Sons Inc.}},
  series       = {{European Journal of Inorganic Chemistry}},
  title        = {{Hydrogenation of CO<sub>2</sub> to Methanol by a Nickel Pincer Catalyst and Mechanistic Investigations by Density Functional Theory Studies}},
  url          = {{http://dx.doi.org/10.1002/ejic.202500138}},
  doi          = {{10.1002/ejic.202500138}},
  volume       = {{28}},
  year         = {{2025}},
}