Issue 37, 2022

An infrared study of CO2 activation by holmium ions, Ho+ and HoO+

Abstract

We report a combined experimental and computational study of carbon dioxide activation at gas-phase Ho+ and HoO+ centres. Infrared action spectra of Ho(CO2)n+ and [HoO(CO2)n]+ ion–molecule complexes have been recorded in the spectral region 1700–2400 cm−1 and assigned by comparison with simulated spectra of energetically low-lying structures determined by density functional theory. Little by way of activation is observed in Ho(CO2)n+ complexes with CO2 binding end-on to the Ho+ ion. By contrast, all [HoO(CO2)n]+ complexes n ≥ 3 show unambiguous evidence for formation of a carbonate radical anion moiety, Image ID:d2cp02862j-t1.gif. The signature of this structure, a new vibrational band observed around 1840 cm−1 for n = 3, continues to red-shift monotonically with each successive CO2 ligand binding with net charge transfer from the ligand rather than the metal centre.

Graphical abstract: An infrared study of CO2 activation by holmium ions, Ho+ and HoO+

Supplementary files

Article information

Article type
Paper
Submitted
23 jun 2022
Accepted
06 sep 2022
First published
07 sep 2022
This article is Open Access
Creative Commons BY license

Phys. Chem. Chem. Phys., 2022,24, 22716-22723

An infrared study of CO2 activation by holmium ions, Ho+ and HoO+

E. I. Brewer, A. E. Green, A. S. Gentleman, P. W. Beardsmore, P. A. J. Pearcy, G. Meizyte, J. Pickering and S. R. Mackenzie, Phys. Chem. Chem. Phys., 2022, 24, 22716 DOI: 10.1039/D2CP02862J

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