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Estimation of Excited-State Geometries of Benzene and Fluorobenzene through Vibronic Analyses of Absorption Spectra
[Image: see text] The parameters used in theoretical modeling of vibrational patterns within Franck–Condon (FC) approximation can be adjusted to match the vibrationally well-resolved experimental absorption spectrum of molecules. These simulation parameters can then be used to reveal the structural...
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
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American Chemical Society
2022
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9476181/ https://www.ncbi.nlm.nih.gov/pubmed/36120020 http://dx.doi.org/10.1021/acsomega.2c04615 |