Monitoring vibronic coherences and molecular aromaticity in photoexcited cyclooctatetraene with an X-ray probe: a simulation study

Author:

Nam Yeonsig1ORCID,Song Huajing2ORCID,Freixas Victor M.3ORCID,Keefer Daniel1ORCID,Fernandez-Alberti Sebastian3ORCID,Lee Jin Yong4ORCID,Garavelli Marco5ORCID,Tretiak Sergei2ORCID,Mukamel Shaul1ORCID

Affiliation:

1. Department of Chemistry, University of California, Irvine, California 92697-2025, USA

2. Physics and Chemistry of Materials, Theoretical Division, Los Alamos National Laboratory, Los Alamos, New Mexico 87545, USA

3. Departamento de Ciencia y Tecnologia, Universidad Nacional de Quilmes/CONICET, B1876BXD, Bernal, Argentina

4. Department of Chemistry, Sungkyunkwan University, Suwon 16419, Korea

5. Dipartimento di Chimica Industriale “Toso Montanari,”, Universita‘ degli Studi di Bologna, I-40136 Bologna, Italy

Abstract

Monitoring conical intersection and aromaticity changes in photo-relaxation of cyclooctatetraene by TRUECARS and TRXD.

Funder

Office of Science

U.S. Department of Energy

National Science Foundation

Basic Energy Sciences

Consejo Nacional de Investigaciones Científicas y Técnicas

Universidad Nacional de Quilmes

Agencia Nacional de Promoción Científica y Tecnológica

Publisher

Royal Society of Chemistry (RSC)

Subject

General Chemistry

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