Excited state structure of isolated 4-cyanoindole from a combined Franck-Condon and rotational constants analysis†
| Autor: | Christian Henrichs, Marie-Luise Hebestreit, Malte Reineke, Michael Schmitt |
|---|---|
| Rok vydání: | 2021 |
| Předmět: |
010405 organic chemistry
Chemistry Organic Chemistry Structure (category theory) 010402 general chemistry 01 natural sciences Fluorescence Spectral line 0104 chemical sciences Analytical Chemistry Inorganic Chemistry Ab initio quantum chemistry methods Excited state Emission spectrum Physics::Chemical Physics Atomic physics Spectroscopy Excitation Excited singlet |
| Zdroj: | Journal of Molecular Structure. 1223:129241 |
| ISSN: | 0022-2860 |
| DOI: | 10.1016/j.molstruc.2020.129241 |
| Popis: | The changes of the structure of 4-cyanoindole upon electronic excitation have been determined from a combined Franck-Condon and rotational constants fit. The geometry changes were fit to simultaneously reproduce the intensities of 72 lines in the fluorescence emission spectra, obtained via excitation of six different vibronic bands in the first excited singlet state, along with the three rotational constants from rotationally resolved electronic spectra. |
| Databáze: | OpenAIRE |
| Externí odkaz: |
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