Gas-phase electronic spectroscopy of nuclear spin isomer separated H2O@C60+ and D2O@C-60+
Gas-phase electronic spectroscopy of nuclear spin isomer separated H2O@C60+ and D2O@C-60+
Gas-phase electronic spectra of H2O@C+60 and D2O@C+60 are presented. These data were obtained by one-photon dissociation of weakly bound helium complexes synthesised in a 3 K ion trap. Mea- surements were recorded in the vicinity of the 2 Ag ,2 Bg ← X 2 Au electronic transitions of the C+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 electronic transition. The experimental data are com- plemented with density functional theory calculations using the B3LYP functional and 6-31++G∗∗ basis set.
Electronic spectroscopy, cryogenic ion trapping, endohedral fullerenes, nuclear spin isomers
Rademacher, Johana
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Reedy, Elliott
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Negri, Fabrizia
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Alom, Shamim
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Whitby, Richard J.
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Levitt, Malcolm H.
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Campbell, Ewen
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14 February 2023
Rademacher, Johana
b7f01031-5fb9-4fa1-828d-1b2ecb9ff61f
Reedy, Elliott
6c279896-0eb9-4680-b7b5-f1b3f9e81d51
Negri, Fabrizia
a0ea0c48-be87-4155-a334-cf4b2da15d28
Alom, Shamim
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Whitby, Richard J.
45632236-ab00-4ad0-a02d-6209043e818b
Levitt, Malcolm H.
bcc5a80a-e5c5-4e0e-9a9a-249d036747c3
Campbell, Ewen
affd2407-4c9b-4e43-93a2-5ce3de797f2c
Rademacher, Johana, Reedy, Elliott, Negri, Fabrizia, Alom, Shamim, Whitby, Richard J., Levitt, Malcolm H. and Campbell, Ewen
(2023)
Gas-phase electronic spectroscopy of nuclear spin isomer separated H2O@C60+ and D2O@C-60+.
Molecular Physics, [e2173507].
(doi:10.1080/00268976.2023.2173507).
Abstract
Gas-phase electronic spectra of H2O@C+60 and D2O@C+60 are presented. These data were obtained by one-photon dissociation of weakly bound helium complexes synthesised in a 3 K ion trap. Mea- surements were recorded in the vicinity of the 2 Ag ,2 Bg ← X 2 Au electronic transitions of the C+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 electronic transition. The experimental data are com- plemented with density functional theory calculations using the B3LYP functional and 6-31++G∗∗ basis set.
Text
Gas phase electronic spectroscopy of nuclear spin isomer separated H2O C60 and D2O C60
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Accepted/In Press date: 18 January 2023
e-pub ahead of print date: 14 February 2023
Published date: 14 February 2023
Additional Information:
Publisher Copyright:
© 2023 The Author(s). Published by Informa UK Limited, trading as Taylor & Francis Group.
Keywords:
Electronic spectroscopy, cryogenic ion trapping, endohedral fullerenes, nuclear spin isomers
Identifiers
Local EPrints ID: 475463
URI: http://eprints.soton.ac.uk/id/eprint/475463
ISSN: 0026-8976
PURE UUID: 471a4780-f182-4736-9bfc-597ac0067077
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Date deposited: 20 Mar 2023 17:37
Last modified: 17 Mar 2024 02:52
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Contributors
Author:
Johana Rademacher
Author:
Elliott Reedy
Author:
Fabrizia Negri
Author:
Shamim Alom
Author:
Ewen Campbell
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