Version 3 2023-03-09, 18:21Version 3 2023-03-09, 18:21
Version 2 2023-02-20, 09:40Version 2 2023-02-20, 09:40
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journal contribution
posted on 2023-03-09, 18:21authored byJohanna Rademacher, Elliott S. Reedy, Fabrizia Negri, Shamim Alom, Richard J. Whitby, Malcolm H. Levitt, Ewen K. Campbell
Gas-phase electronic spectra of HO@C and DO@C are presented. These data were obtained by one-photon dissociation of weakly bound helium complexes synthesised in a 3 K ion trap. Measurements were recorded in the vicinity of the electronic transitions of the C cage. Two-colour hole burning experiments enabled nuclear spin isomer pure data to be obtained. The spectra are rich in structure with many absorptions attributed to internal excitation of the encapsulated molecule accompanying the C electronic transition. The experimental data are complemented with density functional theory calculations using the B3LYP functional and 6-31++G** basis set.
Funding
The authors acknowledge financial assistance from the Royal Society [grant numbers RGF/EA/181035, URF/R1/180162] and Engineering and Physical Sciences Research Council [grant numbers EP/M001962/1, EP/P009980/1 and EP/T004320/1].