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Finite-temperature Wigner phase-space sampling and temperature effects on the excited-state dynamics of 2-nitronaphthalene

Zobel, J. Patrick; Nogueira, Juan; Gonzalez, Leticia

Description

The concept of finite temperature Wigner phase-space sampling allowing the population of vibrationally excited states is introduced and employed to study temperature effects on the absorption spectrum of 2-nitronaphtalene (2NN) and its relaxation dynamics. It is found that, despite the fact that the general deactivation mechanism of 2NN after light irradiation does not change with increasing temperature, i.e., after excitation to the singlet manifold, 2NN deactivates via internal conversion...[Show more]

CollectionsANU Research Publications
Date published: 2019
Type: Journal article
URI: http://hdl.handle.net/1885/206266
Source: Physical Chemistry Chemical Physics
DOI: 10.1039/c8cp03273d
Access Rights: Open Access

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