Site-dependent nuclear dynamics in core-excited butadiene
Oghbaiee, Shabnam LU ; Gisselbrecht, Mathieu LU
; Walsh, Noelle
LU
; Oostenrijk, Bart
LU
; Laksman, Joakim
LU
; Månsson, Erik P.
LU
; Sankari, Anna
LU
; Eland, John H. D.
and Sorensen, Stacey L.
LU
(2022)
In Physical chemistry chemical physics : PCCP
24(47).
p.28825-28830
- Abstract
- Symmetry breaking and competition between electronic decay and nuclear
dynamics are major factors determining whether the memory of the initial
core-hole localisation in a molecule is retained long enough to affect
fragmentation. We investigate the fate of core holes localised at
different sites in the free 1,3 trans butadiene molecule by
using synchrotron radiation to selectively excite core electrons from
different C 1s sites to π* orbitals. Fragmentation involving bonds
localised at the site of the core hole provides clear evidence for
preferential bond breaking for a core hole located at the terminal
carbon site, while the signature of localisation is weak for a vacancy
on the... (More) - Symmetry breaking and competition between electronic decay and nuclear
dynamics are major factors determining whether the memory of the initial
core-hole localisation in a molecule is retained long enough to affect
fragmentation. We investigate the fate of core holes localised at
different sites in the free 1,3 trans butadiene molecule by
using synchrotron radiation to selectively excite core electrons from
different C 1s sites to π* orbitals. Fragmentation involving bonds
localised at the site of the core hole provides clear evidence for
preferential bond breaking for a core hole located at the terminal
carbon site, while the signature of localisation is weak for a vacancy
on the central carbon site. The origin of this difference is attributed
to out-of-plane vibrations, and statistical evaporation of protons for
vacancies located at the central carbon sites. (Less)
Please use this url to cite or link to this publication:
https://lup.lub.lu.se/record/b8ebc9ae-44ba-4b9d-9122-59d368bb9aa5
- author
- Oghbaiee, Shabnam
LU
; Gisselbrecht, Mathieu
LU
; Walsh, Noelle
LU
; Oostenrijk, Bart
LU
; Laksman, Joakim
LU
; Månsson, Erik P.
LU
; Sankari, Anna
LU
; Eland, John H. D.
and Sorensen, Stacey L.
LU
- organization
- publishing date
- 2022-10-31
- type
- Contribution to journal
- publication status
- published
- subject
- in
- Physical chemistry chemical physics : PCCP
- volume
- 24
- issue
- 47
- pages
- 6 pages
- publisher
- Royal Society of Chemistry
- external identifiers
-
- pmid:36420980
- scopus:85143223170
- ISSN
- 1463-9084
- DOI
- 10.1039/d2cp03411e
- language
- English
- LU publication?
- yes
- id
- b8ebc9ae-44ba-4b9d-9122-59d368bb9aa5
- date added to LUP
- 2023-01-04 17:54:03
- date last changed
- 2024-06-10 14:26:14
@article{b8ebc9ae-44ba-4b9d-9122-59d368bb9aa5,
abstract = {{Symmetry breaking and competition between electronic decay and nuclear <br>
dynamics are major factors determining whether the memory of the initial<br>
core-hole localisation in a molecule is retained long enough to affect <br>
fragmentation. We investigate the fate of core holes localised at <br>
different sites in the free 1,3 <em>trans</em> butadiene molecule by <br>
using synchrotron radiation to selectively excite core electrons from <br>
different C 1s sites to π* orbitals. Fragmentation involving bonds <br>
localised at the site of the core hole provides clear evidence for <br>
preferential bond breaking for a core hole located at the terminal <br>
carbon site, while the signature of localisation is weak for a vacancy <br>
on the central carbon site. The origin of this difference is attributed <br>
to out-of-plane vibrations, and statistical evaporation of protons for <br>
vacancies located at the central carbon sites.}},
author = {{Oghbaiee, Shabnam and Gisselbrecht, Mathieu and Walsh, Noelle and Oostenrijk, Bart and Laksman, Joakim and Månsson, Erik P. and Sankari, Anna and Eland, John H. D. and Sorensen, Stacey L.}},
issn = {{1463-9084}},
language = {{eng}},
month = {{10}},
number = {{47}},
pages = {{28825--28830}},
publisher = {{Royal Society of Chemistry}},
series = {{Physical chemistry chemical physics : PCCP}},
title = {{Site-dependent nuclear dynamics in core-excited butadiene}},
url = {{https://lup.lub.lu.se/search/files/133460718/butadiene_core_excitation_2022_reprint.pdf}},
doi = {{10.1039/d2cp03411e}},
volume = {{24}},
year = {{2022}},
}