Hydrogen bond dynamics in the excited states: Photodissociation of phenol in clusters

0384307 - ÚFCH JH 2013 RIV GB eng J - Journal Article
Poterya, Viktoriya - Šištík, L. - Slavíček, Petr - Fárník, Michal
Hydrogen bond dynamics in the excited states: Photodissociation of phenol in clusters.
Physical Chemistry Chemical Physics. Roč. 14, č. 25 (2012), s. 8936-8944. ISSN 1463-9076. E-ISSN 1463-9084
R&D Projects: GA ČR GA203/09/0422; GA ČR GAP208/11/0161
Institutional research plan: CEZ:AV0Z40400503
Keywords : molecules * spectroscopy * electron
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 3.829, year: 2012

We have investigated the photodynamics of phenol molecules in clusters. Possible reaction pathways following the photoexcitation of hydrogen-bonded phenol clusters have been identified theoretically using ab initio calculations. Experimentally we have studied the phenol molecules and clusters of various size distributions in a molecular beam apparatus. In particular, we have measured the H-fragment kinetic energy distributions after the excitation with 243 nm and 193 nm laser radiation. At 243 nm the KED spectra did not show any significant difference between the photodissociation of isolated molecules and phenol in larger clusters, while at 193 nm the contribution of the fast H-fragments is significantly suppressed in clusters with respect to the bare phenol molecule. We have interpreted the experimental results within the framework of the suggested reaction pathways.
Permanent Link: http://hdl.handle.net/11104/0214004