Optimal-tuning of range-separated density functionals to describe the optical and photophysical properties of rhodamine B dimers-Reference-Cited by-同舟云学术

Optimal-tuning of range-separated density functionals to describe the optical and photophysical properties of rhodamine B dimers

Published:2024 Issue: Volume: Page:
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Fanciullo Giacomo¹,Adamo Carlo²^ORCID,Rivalta Ivan¹³^ORCID,Ciofini Ilaria²^ORCID

Affiliation:

1. Dipartimento di Chimica Industriale “Toso Montanari”, Alma Mater Studiorum, Università di Bologna, Viale del Risorgimento 4, 40136 Bologna, Italy

2. Chimie ParisTech, PSL University, CNRS, Institute of Chemistry for Life and Health Sciences, Chemical Theory and Modelling Group, F-75005 Paris, France

3. CNRS, Laboratoire de Chimie UMR 5182, 46 Allée d’Italie, 69364 Lyon, France

Abstract

Optimally tuned range-separated hybrid functionals are employed to study the excited states of rhodamine B and its H dimer. The impact of range-separation parameters on the description of dimeric charge-transfer states is extensively analyzed.

Funder

Ministero dell’Istruzione, dell’Università e della Ricerca

European Research Council

Publisher

Royal Society of Chemistry (RSC)

Link

http://pubs.rsc.org/en/content/articlepdf/2024/CP/D4CP02147A

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4. Probing the energy transfer process by controlling the morphology of CH3NH3PbBr3 nanocrystals with rhodamine B dye

5. Rhodamine B as an optical thermometer in cells focally exposed to infrared laser light or nanosecond pulsed electric fields