Imperial College London
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ProfessorJaspervan Thor

Faculty of Natural Sciences, Department of Life Sciences

Professor of Molecular Biophysics
 
 
 
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Contact

 

+44 (0)20 7594 5071j.vanthor Website

 
 
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Location

 

703Sir Ernst Chain BuildingSouth Kensington Campus

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Summary

 

Publications

Citation

BibTex format

@article{Zamzam:2019:10.3390/molecules24071326,
author = {Zamzam, N and van, Thor JJ},
doi = {10.3390/molecules24071326},
journal = {Molecules},
pages = {1--15},
title = {Excited state frequencies of chlorophyll f and chlorophyll a and evaluation of displacement through franck-condon progression calculations},
url = {http://dx.doi.org/10.3390/molecules24071326},
volume = {24},
year = {2019}
}
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RIS format (EndNote, RefMan)

TY  - JOUR
AB  - We present ground and excited state frequency calculations of the recently discovered extremely red-shifted chlorophyll f. We discuss the experimentally available vibrational mode assignments of chlorophyll f and chlorophyll a which are characterised by particularly large downshifts of 131-keto mode in the excited state. The accuracy of excited state frequencies and their displacements are evaluated by the construction of Franck–Condon (FC) and Herzberg–Teller (HT) progressions at the CAM-B3LYP/6-31G(d) level. Results show that while CAM-B3LYP results are improved relative to B3LYP calculations, the displacements and downshifts of high-frequency modes are underestimated still, and that the progressions calculated for low temperature are dominated by low-frequency modes rather than fingerprint modes that are Resonant Raman active.
AU  - Zamzam,N
AU  - van,Thor JJ
DO  - 10.3390/molecules24071326
EP  - 15
PY  - 2019///
SN  - 1420-3049
SP  - 1
TI  - Excited state frequencies of chlorophyll f and chlorophyll a and evaluation of displacement through franck-condon progression calculations
T2  - Molecules
UR  - http://dx.doi.org/10.3390/molecules24071326
UR  - http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcApp=PARTNER_APP&SrcAuth=LinksAMR&KeyUT=WOS:000464954000004&DestLinkType=FullRecord&DestApp=ALL_WOS&UsrCustomerID=1ba7043ffcc86c417c072aa74d649202
UR  - https://www.mdpi.com/1420-3049/24/7/1326
UR  - http://hdl.handle.net/10044/1/81923
VL  - 24
ER  -
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