학술논문

Site-dependent nuclear dynamics in core-excited butadiene
Document Type
Source
Physical chemistry chemical physics : PCCP. 24(47):28825-28830
Subject
Naturvetenskap
Fysik
Atom- och molekylfysik och optik
Natural Sciences
Physical Sciences
Atom and Molecular Physics and Optics
Kemi
Fysikalisk kemi
Chemical Sciences
Physical Chemistry
Language
English
ISSN
1463-9084
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 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.