Vibronic bandshape of the absorption spectra of dibenzoylmethanatoboron difluoride derivatives: analysis based on ab initio calculations-Reference-Cited by-同舟云学术

Vibronic bandshape of the absorption spectra of dibenzoylmethanatoboron difluoride derivatives: analysis based on ab initio calculations

Published:2015 Issue:26 Volume:17 Page:16997-17006
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Rukin Pavel S.¹²³⁴,Freidzon Alexandra Ya.¹²³⁴⁵^ORCID,Scherbinin Andrei V.⁶⁷⁸⁹,Sazhnikov Vyacheslav A.¹²³⁴,Bagaturyants Alexander A.¹²³⁴⁵,Alfimov Michael V.¹²³⁴

Affiliation:

1. Photochemistry Center

2. Russian Academy of Sciences

3. Moscow

4. 119421 Russia

5. National Research Nuclear University MEPhI

6. Department of Chemistry

7. M.V. Lomonosov Moscow State University

8. Moscow 119991

9. Russia

Abstract

The nature of absorption bandshapes of dibenzoylmethanatoboron difluoride (DBMBF₂) derivatives is investigated using TDDFT and time-dependent linear vibronic coupling model.

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2015/CP/C5CP02085A

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