000			01922nam a22002057a 4500
005			20231027123751.0
008			231027b ||||| |||| 00| 0 eng d
022			_a0021-9584
100			_aBicer, Omer Faruk
245			_aFranck–Condon Factors in Electronic Excitations from the Ground and Excited Vibrational States Are Different (Journal Article)
260			_aWashington DC _b :American Chemical Society _c,2023
300			_a2423-2429p.
440			_aJournal of Chemical Society _v, Volume 100: Number 6, June 2023
505			_a ***______{For Hard Copy, Please visit Library.}________***
520			_aAbstract: Vibrational fine structure observed in the published He–I UV photoelectron spectra of H2 and N2 molecules recorded at room temperature and under microwave excitation or at 700 °C have been reexamined and compared with calculations of the Franck–Condon factors (FCFs) using simple harmonic oscillator wave functions and/or those obtained using Morse potentials. In general, FCFs are used to explain vibronic transitions of molecules observed in the UV–vis and photoelectron spectra of diatomic and polyatomic molecules, which can be computed using differing levels of complexity. We advocate constructing the vibrational wave functions numerically, rather than analytically, with the help of a program such as Excel, Origin, or Python. In this way students can also verify the normalization and orthogonality of the wave functions using numerical integration routes provided within these programs. Special attention is drawn to possible deviations of the FCFs of the vibrationally excited molecules from those of the ground states.
650			_aElectronic Spectroscopy | Vibrational Fine Structure | Franck−Condon Factors| Hot Bands
700			_a Lomlu, Rana | Katmer, Fatmagul | Süzer, Sefik
856			_uhttps://pubs.acs.org/doi/10.1021/acs.jchemed.3c00049
942			_cPER
999			_c44629 _d44628