The photophysical properties of neutral, monocation radical, and dication of dithiadiazuliporphyrin have been examined with a particular focus on their aromaticity. Dithiadiazuliporphyrin exhibits significantly different characteristics depending on its oxidation state. From these features, we could conclude that the aromaticity of dithiadiazuliporphyrin is changed from nonaromatic to aromatic upon oxidation from neutral to monocation radical and dication by Br2.
Bibliographical noteFunding Information:
The work at Yonsei University was supported by the Global Research Laboratory Program (GRL, 2013K1A1A2A0205183) funded by the Ministry of Science, ICT & Future, Korea. The quantum calculations were performed using the supercomputing resources of the Korea Institute of Science and Technology Information (KISTI). The work at the University of Wroc?aw was supported by National Science Centre (Grant Number: 2012/04/A/ST5/00593).
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All Science Journal Classification (ASJC) codes
- Chemical Engineering(all)