Hydrogen migration in formation of NH(A3Π) radicals via superexcited states in photodissociation of isoxazole molecules

Mariusz Zubek; Tomasz Wąsowicz; Iwona Dąbkowska; Antti Kivimaki; Marcello Coreno

doi:10.1063/1.4891808

Hydrogen migration in formation of NH(A3Π) radicals via superexcited states in photodissociation of isoxazole molecules

Abstract

Formation of the excited NH(A 3Π) free radicals in the photodissociation of isoxazole (C3H3NO) molecules has been studied over the 14-22 eV energy range using photon-induced fluorescence spectroscopy. The NH(A 3Π) is produced through excitation of the isoxazole molecules into higher-lying superexcited states. Observation of the NH radical, which is not a structural unit of the isoxazole molecule, corroborates the hydrogen atom (or proton) migration within the molecule prior to dissociation. The vertical excitation energies of the superexcited states were determined and the dissociation mechanisms of isoxazole are discussed. The density functional and ab initio quantum chemical calculations have been performed to study the mechanism of the NH formation.

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Authors (5)

Mariusz Zubek prof. dr hab. inż.
Tomasz Wąsowicz dr hab.
Iwona Dąbkowska
- Uniwersytet Gdański Wydział Chemii
Antti Kivimaki
- CNR-IOM Trieste LaboratorioTASC
Marcello Coreno
- CNR-IMIP Roma Monterotondo

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DOI:: Digital Object Identifier (open in new tab) 10.1063/1.4891808
License: Copyright (2014 AIP Publishing LLC)

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Category:: Articles
Type:: artykuł w czasopiśmie wyróżnionym w JCR
Published in:: JOURNAL OF CHEMICAL PHYSICS no. 141, edition 6, pages 1 - 7,
ISSN: 0021-9606
Language:: English
Publication year:: 2014
Bibliographic description:: Zubek M., Wąsowicz T., Dąbkowska I., Kivimaki A., Coreno M.: Hydrogen migration in formation of NH(A3Π) radicals via superexcited states in photodissociation of isoxazole molecules// JOURNAL OF CHEMICAL PHYSICS. -Vol. 141, iss. 6 (2014), s.1-7
DOI:: Digital Object Identifier (open in new tab) 10.1063/1.4891808
Verified by:: Gdańsk University of Technology