Photophysics of phenalenone: quantum-mechanical investigation of singlet–triplet intersystem crossing†
Abstract
We have examined the electronic and molecular structure of
* Corresponding authors
a
Grupo de Bioquímica Teórica, Universidad Industrial de Santander, Carrera 27, Calle 9, Bucaramanga, Colombia
E-mail:
mcdaza@uis.edu.co
Fax: +57 763 23778
Tel: +57 763 23778
b
Max-Planck-Institut für Kohlenforschung, Kaiser-Wilhelm-Platz 1, Mülheim an der Ruhr, Germany
E-mail:
thiel@mpi-muelheim.mpg.de
Fax: +49 (0)208 3062996
Tel: +49 (0)208 3062150
c
Institute of Theoretical and Computational Chemistry, Heinrich Heine University of Düsseldorf, Universitätsstr. 1, Düsseldorf, Germany
E-mail:
Christel.Marian@uni-duesseldorf.de
Fax: +49 (0)211 8113466
Tel: +49 (0)211 8113209
We have examined the electronic and molecular structure of
M. C. Daza, M. Doerr, S. Salzmann, C. M. Marian and W. Thiel, Phys. Chem. Chem. Phys., 2009, 11, 1688 DOI: 10.1039/B815724C
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