التفاصيل البيبلوغرافية
| العنوان: |
An infrared study of CO2 activation by holmium ions, Ho+ and HoO+. |
| المؤلفون: |
Brewer, Edward I., Green, Alice E., Gentleman, Alexander S., Beardsmore, Peter W., Pearcy, Philip A. J., Meizyte, Gabriele, Pickering, Jack, Mackenzie, Stuart R. |
| المصدر: |
Physical Chemistry Chemical Physics (PCCP); 10/7/2022, Vol. 24 Issue 37, p22716-22723, 8p |
| مستخلص: |
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,. 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. [ABSTRACT FROM AUTHOR] |
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| قاعدة البيانات: |
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