The origin of the absorption spectra of porphyrin N- and dithiaporphyrin S-oxides in their neutral and protonated states
Author:
Affiliation:
1. Institute of Organic Chemistry
2. University of Würzburg
3. D-97074 Würzburg
4. Germany
5. Department of Chemistry
6. University of Connecticut
7. Storrs
8. USA
Abstract
DFT, TDDFT, and SCS-CC2 calculations were used to investigate the excited states of the NIR absorbing neutral and protonated forms of a dithiaporphyrin S-oxide and a porphyrin N-oxide.
Funder
National Science Foundation
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/C4CP04675G
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5. A complex containing a nickel-oxygen unit at the center of a porphyrin. The x-ray crystal and molecular structure of the nickel(II) complex of octaethylporphyrin N-oxide dianion
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