Ground and Electronically Excited Singlet‐State Structures of 5‐Fluoroindole Deduced from Rotationally Resolved Electronic Spectroscopy and ab Initio Theory |
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| Authors: | Christian Brand Olivia Oeltermann Martin Wilke Prof. Dr. Jörg Tatchen Prof. Dr. Michael Schmitt |
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| Affiliation: | 1. Heinrich‐Heine‐Universit?t, Institut für Physikalische Chemie I, 40225 Düsseldorf (Germany);2. Heinrich‐Heine‐Universit?t, Institut für Theoretische Chemie, 40225 Düsseldorf (Germany) |
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| Abstract: | ![]()
The structure and electronic properties of the electronic ground state and the lowest excited singlet state (S1) of 5‐fluoroindole (5FI) were determined by using rotationally resolved spectroscopy of the vibration‐less electronic origin of 5FI. From the parameters of the axis reorientation Hamiltonian, the absolute orientation of the transition dipole moment in the molecular frame was determined and the character of the excited state was identified as Lb. |
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| Keywords: | ab initio calculations electronic structures excited states high‐resolution spectroscopy substituent effects |
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