التفاصيل البيبلوغرافية
| العنوان: |
Gas-phase electronic spectroscopy of nuclear spin isomer separated H2O@C60+ and D2O@C60+. |
| المؤلفون: |
Rademacher, Johanna1 (AUTHOR), Reedy, Elliott S.1 (AUTHOR), Negri, Fabrizia2 (AUTHOR), Alom, Shamim3 (AUTHOR), Whitby, Richard J.3 (AUTHOR), Levitt, Malcolm H.3 (AUTHOR), Campbell, Ewen K.1 (AUTHOR) e.k.campbell@ed.ac.uk |
| المصدر: |
Molecular Physics. Jan2024, Vol. 122 Issue 1/2, p1-11. 11p. |
| مصطلحات موضوعية: |
*NUCLEAR spectroscopy, *NUCLEAR spin, *ISOMERS, *ELECTRONIC spectra, *DENSITY functional theory |
| مستخلص: |
Gas-phase electronic spectra of H $ {}_2 $ 2 O@C $ {}_{60}^+ $ 60 + and D $ {}_2 $ 2 O@C $ {}_{60}^+ $ 60 + 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 $ {}^{2}{\rm A}_{g}{\rm, }^{2}{\rm B}_{g}\,\leftarrow \,X\,^{2}{\rm A}_{u} $ 2 A g , 2 B g ← X 2 A u electronic transitions of the C $ {}_{60}^+ $ 60 + 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 $ {}_{60}^{+} $ 60 + electronic transition. The experimental data are complemented with density functional theory calculations using the B3LYP functional and 6-31++G** basis set. [ABSTRACT FROM AUTHOR] |
| قاعدة البيانات: |
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