Abstract
The results of TD-DFT calculations for a series of tetraaryltetraphenanthroporphyrins containing para-substituents with differing electron donating and accepting properties are compared to the observed optical and redox properties and Michl's perimeter model is used as a conceptual framework for analyzing the results.
Original language | English |
---|---|
Pages (from-to) | 833-844 |
Number of pages | 12 |
Journal | Journal of Porphyrins and Phthalocyanines |
Volume | 16 |
Issue number | 7-8 |
DOIs | |
Publication status | Published - 2012 Jan 1 |
Keywords
- MCD spectroscopy
- Michl's perimeter model
- TD-DFT calculations
- tetraphenyltetraphenanthroporphyrins
ASJC Scopus subject areas
- Chemistry(all)