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Fine- and hyperfine-structure effects in molecular photoionization. I. General theory and direct photoionization.
J Chem Phys ; 145(4): 044314, 2016 Jul 28.
Artigo em Inglês | MEDLINE | ID: mdl-27475368
ABSTRACT
We develop a model for predicting fine- and hyperfine intensities in the direct photoionization of molecules based on the separability of electron and nuclear spin states from vibrational-electronic states. Using spherical tensor algebra, we derive highly symmetrized forms of the squared photoionization dipole matrix elements from which we derive the salient selection and propensity rules for fine- and hyperfine resolved photoionizing transitions. Our theoretical results are validated by the analysis of the fine-structure resolved photoelectron spectrum of O2 reported by Palm and Merkt [Phys. Rev. Lett. 81, 1385 (1998)] and are used for predicting hyperfine populations of molecular ions produced by photoionization.

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Texto completo: Disponível Coleções: Bases de dados internacionais Base de dados: MEDLINE Aspecto clínico: Predição / Prognóstico Idioma: Inglês Revista: J Chem Phys Ano de publicação: 2016 Tipo de documento: Artigo País de afiliação: Suíça