Transfer of solvated electrons to some aliphatic halides in ethanol at 77 K. The role of Franck-Condon factors

1978 ◽  
Vol 82 (17) ◽  
pp. 1901-1907 ◽  
Author(s):  
Akira Namiki ◽  
Nobuaki Nakashima ◽  
Keitaro Yoshihara ◽  
Yoshiro Ito ◽  
Takenobu Higashimura
Keyword(s):  
Solvated Electrons ◽  
Condon Factors ◽  
Franck Condon

A Discussion on photoelectron spectroscopy - The role of autoionization in molecular photoelectron spectra

1970 ◽  
Vol 268 (1184) ◽  
pp. 169-175 ◽  
Keyword(s):  
Excitation Energy ◽  
Relative Intensity ◽  
Intensity Distribution ◽  
Configuration Interaction ◽  
Photoelectron Spectroscopy ◽  
Photoelectron Spectra ◽  
Final States ◽  
Condon Factors ◽  
Franck Condon

The Fano-Mies theory of configuration interaction is applied to the photoionization of diatomic molecules, yielding an expression which gives the relative intensity of vibrational peaks in photoelectron spectra when one or more autoionizing states are in the vicinity of the excitation energy. In some cases the vibrational intensity distribution depends only on Franck-Condon factors connecting autoionizing and final states. Illustrative calculations for O2 show the transition from this limit to the limit of direct photoionization as the line profile index decreases.

Identification of the photoelectron spectra of HFCS via computing Franck–Condon factors

2021 ◽  
pp. 113393
Author(s):  
Jia-Lin Chang ◽  
Wen-Hsin Kuo ◽  
Yun-Jhu Huang ◽  
Mu-Fong Chang ◽  
Jui-Yang Huang ◽  
...  
Keyword(s):  
Photoelectron Spectra ◽  
Condon Factors ◽  
Franck Condon

THEORETICAL TRANSITION PROBABILITIES FOR THE $\tilde{A}^{2}A_{1} -\tilde{X}^{2}B_{1}$ SYSTEM OF H2O+ AND D2O+ AND RELATED FRANCK–CONDON FACTORS BASED ON GLOBAL POTENTIAL ENERGY SURFACES

2005 ◽  
Vol 04 (01) ◽  
pp. 225-245 ◽  
Author(s):  
IKUO TOKUE ◽  
KATSUYOSHI YAMASAKI ◽  
SATOSHI MINAMINO ◽  
SHINKOH NANBU
Keyword(s):  
Potential Energy ◽  
Photoelectron Spectroscopy ◽  
Potential Energy Surfaces ◽  
Least Squares Method ◽  
Transition Probabilities ◽  
Three Dimensional ◽  
Equilibrium Geometry ◽  
Condon Factors ◽  
Energy Surfaces ◽  
Franck Condon

To elucidate the ionization dynamics, in particular the vibrational distribution, of H 2 O +(Ã) produced by photoionization and the Penning ionization of H 2 O and D 2 O with He *(2 3S) atoms, Franck–Condon factors (FCFs) were given for the [Formula: see text] ionization, and the transition probabilities were presented for the [Formula: see text] emission. The FCFs were obtained by quantum vibrational calculations using the three-dimensional potential energy surfaces (PESs) of [Formula: see text] and [Formula: see text] electronic states. The global PESs were determined by the multi-reference configuration interaction calculations with the Davidson correction and the interpolant moving least squares method combined with the Shepard interpolation. The obtained FCFs exhibit that the [Formula: see text] state primarily populates the vibrational ground state, as its equilibrium geometry is almost equal to that of [Formula: see text], while the bending mode (ν2) is strongly enhanced for the H 2 O +(Ã) state; the maximums in the population of H 2 O + and D 2 O + are approximately v2 = 11–12 and 15–17, respectively. These results are consistent with the distributions observed by photoelectron spectroscopy. Transition probabilities for the [Formula: see text] system of H 2 O + and D 2 O + show that the bending progressions consist primarily of the [Formula: see text] emission, with combination bands from the (1, v′2 = 4–8, 0) level being next most important.

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