Comparison of various Franck–Condon and vibronic coupling approaches for simulating electronic spectra: The case of the lowest photoelectron band of ethylene

2005 ◽  
Vol 7 (8) ◽  
pp. 1759-1771 ◽  
Author(s):  
Anirban Hazra ◽  
Marcel Nooijen
2021 ◽  
Vol 12 (1) ◽  
Author(s):  
Fan-Fang Kong ◽  
Xiao-Jun Tian ◽  
Yang Zhang ◽  
Yun-Jie Yu ◽  
Shi-Hao Jing ◽  
...  

AbstractVibronic coupling is a central issue in molecular spectroscopy. Here we investigate vibronic coupling within a single pentacene molecule in real space by imaging the spatial distribution of single-molecule electroluminescence via highly localized excitation of tunneling electrons in a controlled plasmonic junction. The observed two-spot orientation for certain vibronic-state imaging is found to be evidently different from the purely electronic 0–0 transition, rotated by 90°, which reflects the change in the transition dipole orientation from along the molecular short axis to the long axis. Such a change reveals the occurrence of strong vibronic coupling associated with a large Herzberg–Teller contribution, going beyond the conventional Franck–Condon picture. The emergence of large vibration-induced transition charges oscillating along the long axis is found to originate from the strong dynamic perturbation of the anti-symmetric vibration on those carbon atoms with large transition density populations during electronic transitions.


2014 ◽  
Vol 16 (27) ◽  
pp. 14244-14256 ◽  
Author(s):  
Motoyuki Uejima ◽  
Tohru Sato ◽  
Daisuke Yokoyama ◽  
Kazuyoshi Tanaka ◽  
Jong-Wook Park

Diagonal vibronic couplings in the Franck–Condon S1 state cause torsional distortion, which gives rise to enhancement of fluorescence with a large transition dipole moment.


1974 ◽  
Vol 5 (41) ◽  
Author(s):  
ISAMU SUZUKA ◽  
NAOHIKO MIKAMI ◽  
MITSUO ITO

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