Journal
CHEMICAL PHYSICS LETTERS
Volume 713, Issue -, Pages 215-225Publisher
ELSEVIER
DOI: 10.1016/j.cplett.2018.10.050
Keywords
cis-Isobacteriochlorin; Absorption and fluorescence spectra; Vibronic fine-structures; Duschinsky effect; Herzberg-Teller effect
Funding
- National Nature Science Foundation of China [21273009, 11674003]
- Nature Science Foundation of the Education Committee of Anhui [KJ2009A131]
Ask authors/readers for more resources
The characteristics of the low-lying electronic states of cis-isobacteriochlorin were investigated by Density Functional Theory and its time-dependent extension. The high-resolved absorption and fluorescence spectra were simulated in the framework of the Herzberg-Teller approximation with the inclusion of the normal mode mixing effect. The simulated spectra were in accordance with the experimental findings. Our theoretical simulations allowed to identify the experimental bands and to assign them to the specific vibrational transitions. The individual Herzberg-Teller and Duschinsky effects were investigated separately and their respective contribution on the vibrational intensity changes of different normal modes were clarified.
Authors
I am an author on this paper
Click your name to claim this paper and add it to your profile.
Reviews
Recommended
No Data Available