University of Illinois Urbana-Champaign

Vibronic Coupling Mechanisms In The Nitrate Radical

Stanton, John F.

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MJ03_1.pptx
6475.pdf

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https://hdl.handle.net/2142/116903

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Title
Vibronic Coupling Mechanisms In The Nitrate Radical
Author(s)
Stanton, John F.
Issue Date
2022-06-20
Keyword(s)
Comparing theory and experiment
Abstract
An argument can be made that the nitrate radical (NO$_3$) is the most complicated tetraatomic molecule in nature, an assertion that becomes undoubtedly correct when its quantum mechanical complexity is convolved with its environmental importance. The three lowest electronic states of this molecule ($X^2A_2^{\prime}, A^2E^{\prime\prime}$ and $B^2E^{\prime}$) are separated by less than 2 eV, and considerable vibronic mixing between these states leads to the complicated spectral patterns observed experimentally for NO$_3$. This talk reviews the various (qualitative) coupling mechanisms responsible for the abundance of various Franck-Condon forbidden features in electronic spectra of this species, with particular emphasis given to: photodetachment of the (well-behaved) nitrate anion; the $A-X$ absorption spectrum; and the $B-X$ absorption and dispersed fluorescence spectra. Apart from the A-X absorption spectrum, all of the above can be qualitatively reproduced by an extremely simple vibronic Hamiltonian, and semi-quantitative agreement is achieved with a more elaborate but conceptually identical form. As time permits, a progress report will be given on the interpretation of the $A-X$ spectrum, some features of which remain poorly understood.
Publisher
International Symposium on Molecular Spectroscopy
Type of Resource
text
Genre of Resource
Conference Paper / Presentation
Language
eng
Handle URL
https://hdl.handle.net/2142/116903
DOI
https://doi.org/10.15278/isms.2022.MJ03
Copyright and License Information
Copyright 2022 held by the authors

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Abstracts & Presentations - 2022 International Symposium on Molecular Spectroscopy PRIMARY