The 4(5)-methylimidazole System in the gas phase: Insights from helium droplet experiment vs. quantum chemistry
The two tautomers of 4(5)-methylimidazole are sufficiently similar, making it challenging to accurately measure their intrinsic relative abundance. In this study, we present a method for such a measurement in the gas phase, which involves sublimation of the tautomers in an unknown ratio before they are trapped in a helium nanodroplet at 0.4 K. The tautomers are then identified thanks to infrared absorption of their N–H stretching mode using the HENDI (HElium Nanodroplet Isolation) technique. These results, which find that 4-methylimidazole is the predominant tautomer, are compared with quantum chemistry calculations and discussed within the framework of thermodynamic evaporation.
Authors
- Eric Gloaguen (ORCID: https://orcid.org/0000-0002-1023-2791)
- Valérie Brenner (ORCID: https://orcid.org/0000-0002-8004-1157)
- J.‐M. Mestdagh (ORCID: https://orcid.org/0000-0002-7638-4181)
- Ephriem Mengesha (ORCID: https://orcid.org/0000-0002-5332-4135)
- Floriane Grollau (ORCID: https://orcid.org/0000-0003-0868-4091)
- M. Briant (ORCID: https://orcid.org/0000-0003-3745-9061)
- Michel Mons (ORCID: https://orcid.org/0000-0001-9930-831X)
Institutions
- Centre National de la Recherche Scientifique (FR)
- Commissariat à l'Énergie Atomique et aux Énergies Alternatives (FR)
- Université Paris-Saclay (FR)
- Institut des Sciences Moléculaires (FR)
- CEA Paris-Saclay (FR)
- Laboratoire Interactions, Dynamiques et Lasers (FR)
Publication Details
- Journal
- Low Temperature Physics
- Published
- 2025-04-01
- DOI
- https://doi.org/10.1063/10.0036203
- Primary Topic
- Advanced Chemical Physics Studies
- Type
- article
- Field-Weighted Citation Impact
- 0.00