Valence photoionization and photoelectron-photoion coincidence (PEPICO) study of molecular LiCl and Li2Cl2
(2012) In Journal of Electron Spectroscopy and Related Phenomena 185(8-9). p.285-293- Abstract
- Molecular LiCl and Li2Cl2 have been studied in the vapor phase with valence photoelectron and photoelectron-photoion coincidence spectroscopies. These two techniques determine the binding energies in fundamentally different ways. Binding energies obtained from photoelectron spectra are usually taken as the vertical ionization energies of the corresponding electronic states. In cases with several overlapping bands, corresponding to different electronic states, the coincidence measurement can separate the bands if the respective final states fragment differently. This applies well to the monomer case. To facilitate the determination of state-specific ionization energies in the dimeric molecule, a theoretical Franck-Condon analysis has been... (More)
- Molecular LiCl and Li2Cl2 have been studied in the vapor phase with valence photoelectron and photoelectron-photoion coincidence spectroscopies. These two techniques determine the binding energies in fundamentally different ways. Binding energies obtained from photoelectron spectra are usually taken as the vertical ionization energies of the corresponding electronic states. In cases with several overlapping bands, corresponding to different electronic states, the coincidence measurement can separate the bands if the respective final states fragment differently. This applies well to the monomer case. To facilitate the determination of state-specific ionization energies in the dimeric molecule, a theoretical Franck-Condon analysis has been carried out. Moreover, ab initio coupled-cluster and density-functional-theory calculations have been used to analyze the fragmentation pattern based on asymptotic dissociation energies. The fragmentation pattern is largely common to all the accessible valence-ionized states of the chiller, consistent with rapid conversion to the ionic ground state before fragmentation. However, the highest-lying state of Li2Cl2+, (2)A(g). shows enhanced propensity for Li+ as dissociation product. (C) 2012 Elsevier B.V. All rights reserved. (Less)
Please use this url to cite or link to this publication:
https://lup.lub.lu.se/record/3139280
- author
- Patanen, M. ; Borve, K. J. ; Kettunen, J. A. ; Urpelainen, Samuli LU ; Huttula, M. ; Aksela, H. and Aksela, S.
- organization
- publishing date
- 2012
- type
- Contribution to journal
- publication status
- published
- subject
- keywords
- Gas phase, LiCl: Li2Cl2, Photoelectron spectroscopy, PEPICO, Fragmentation, Ab initio calculations
- in
- Journal of Electron Spectroscopy and Related Phenomena
- volume
- 185
- issue
- 8-9
- pages
- 285 - 293
- publisher
- Elsevier
- external identifiers
-
- wos:000308627700015
- scopus:84865045853
- ISSN
- 0368-2048
- DOI
- 10.1016/j.elspec.2012.05.004
- language
- English
- LU publication?
- yes
- id
- 07c14ff7-f3f8-4d14-9648-b9ed11b7185c (old id 3139280)
- date added to LUP
- 2016-04-01 13:53:44
- date last changed
- 2022-01-27 21:43:43
@article{07c14ff7-f3f8-4d14-9648-b9ed11b7185c,
abstract = {{Molecular LiCl and Li2Cl2 have been studied in the vapor phase with valence photoelectron and photoelectron-photoion coincidence spectroscopies. These two techniques determine the binding energies in fundamentally different ways. Binding energies obtained from photoelectron spectra are usually taken as the vertical ionization energies of the corresponding electronic states. In cases with several overlapping bands, corresponding to different electronic states, the coincidence measurement can separate the bands if the respective final states fragment differently. This applies well to the monomer case. To facilitate the determination of state-specific ionization energies in the dimeric molecule, a theoretical Franck-Condon analysis has been carried out. Moreover, ab initio coupled-cluster and density-functional-theory calculations have been used to analyze the fragmentation pattern based on asymptotic dissociation energies. The fragmentation pattern is largely common to all the accessible valence-ionized states of the chiller, consistent with rapid conversion to the ionic ground state before fragmentation. However, the highest-lying state of Li2Cl2+, (2)A(g). shows enhanced propensity for Li+ as dissociation product. (C) 2012 Elsevier B.V. All rights reserved.}},
author = {{Patanen, M. and Borve, K. J. and Kettunen, J. A. and Urpelainen, Samuli and Huttula, M. and Aksela, H. and Aksela, S.}},
issn = {{0368-2048}},
keywords = {{Gas phase; LiCl: Li2Cl2; Photoelectron spectroscopy; PEPICO; Fragmentation; Ab initio calculations}},
language = {{eng}},
number = {{8-9}},
pages = {{285--293}},
publisher = {{Elsevier}},
series = {{Journal of Electron Spectroscopy and Related Phenomena}},
title = {{Valence photoionization and photoelectron-photoion coincidence (PEPICO) study of molecular LiCl and Li2Cl2}},
url = {{http://dx.doi.org/10.1016/j.elspec.2012.05.004}},
doi = {{10.1016/j.elspec.2012.05.004}},
volume = {{185}},
year = {{2012}},
}