Excitonic splittings in molecular dimers: why static ab initio calculations cannot match them-Reference-Cited by-同舟云学术

Excitonic splittings in molecular dimers: why static ab initio calculations cannot match them

Published:2015 Issue:11 Volume:6 Page:6059-6068
ISSN:2041-6520
Container-title:Chemical Science
language:en
Short-container-title:Chem. Sci.

Author:

Ottiger Philipp¹²³,Köppel Horst⁴⁵⁶⁷,Leutwyler Samuel¹²³^ORCID

Affiliation:

1. Dept. für Chemie und Biochemie

2. CH-3012 Bern

3. Switzerland

4. Physikalisch-Chemisches Institut

5. Universität Heidelberg

6. D-69120 Heidelberg

7. Germany

Abstract

We show experimentally that excitonic splittings in symmetric dimers calculatedab initioare 5–25 times too large, and explain why using vibronic coupling theory.

Funder

Deutsche Forschungsgemeinschaft

Schweizerische Nationalfonds zur Förderung der Wissenschaftlichen Forschung

Publisher

Royal Society of Chemistry (RSC)

Subject

General Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2015/SC/C5SC02546J

Reference66 articles.

1. Dynamics of Light Harvesting in Photosynthesis

2. Physical origins and models of energy transfer in photosynthetic light-harvesting

3. Lessons from nature about solar light harvesting

4. Photosynthetic light harvesting: excitons and coherence

5. Excited state dynamics in photosynthetic reaction center and light harvesting complex 1

Cited by 42 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. LIF spectrum for the localised S0 → S1(ππ*) excitation in the H-bonded anthranilic acid dimer: Symmetry breaking or coupling of vibrations;Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy;2024-10

2. Evidence for a transfer-to-trap mechanism of fluorophore concentration quenching in lipid bilayers;Biophysical Journal;2024-07

3. Structural dynamics around a hydrogen bond: Investigating the effect of hydrogen bond strengths on the excited state dynamics of carboxylic acid dimers;The Journal of Chemical Physics;2024-03-28

4. Exciton interactions of chlorophyll tetramer in water-soluble chlorophyll-binding protein BoWSCP;Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy;2024-03

5. Evidence for a transfer-to-trap mechanism of fluorophore concentration quenching in lipid bilayers;2024-02-21