On the simulation of vibrationally resolved electronic spectra of medium-size molecules: the case of styryl substituted BODIPYs-Reference-Cited by-同舟云学术

On the simulation of vibrationally resolved electronic spectra of medium-size molecules: the case of styryl substituted BODIPYs

Published:2019 Issue:7 Volume:21 Page:3512-3526
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Fortino Mariagrazia¹²³,Bloino Julien⁴⁵³⁶⁷^ORCID,Collini Elisabetta⁸⁹³^ORCID,Bolzonello Luca⁸⁹³^ORCID,Trapani Mariachiara¹⁰¹¹¹²¹³³,Faglioni Francesco¹²³^ORCID,Pedone Alfonso¹²³^ORCID

Affiliation:

1. Università di Modena e Reggio Emilia

2. Modena

3. Italy

4. Consiglio Nazionale delle Ricerche Istituto di Chimica dei Composti OrganoMetallici

5. Pisa

6. Scuola Normale Superiore di Pisa

7. I-56126 Pisa

8. Università degli studi di Padova

9. Padova

10. CNR-ISMN

11. Istituto per lo Studio dei Materiali Nanostrutturati

12. c/o Dipartimento di Scienze Chimiche, Biologiche, Farmaceutiche ed Ambientali

13. Messina

Abstract

Vibronic spectra of two BODIPY derivatives were computed using both Time-Independent (TI) and Time-Dependent (TD) formalisms including solvent and temperature effects with several DFT functionals.

Funder

Ministero dell'Istruzione, dell'Università e della Ricerca

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2019/CP/C8CP02845A

Reference68 articles.

1. Lighting the way ahead with boron dipyrromethene (Bodipy) dyes

2. Fluorescent indicators based on BODIPY

3. 4,4′-Difluoro-4-bora-3a,4a-diaza-s-indacenes (BODIPYs) as components of novel light active materials