Trends in the optical and redox properties of tetraphenyltetraphenanthroporphyrins

John MacK; Kevin Lobb; Tebello Nyokong; Zhen Shen; Nagao Kobayashi

doi:10.1142/S1088424612500885

Trends in the optical and redox properties of tetraphenyltetraphenanthroporphyrins

John MacK, Kevin Lobb, Tebello Nyokong, Zhen Shen, Nagao Kobayashi

Research output: Contribution to journal › Article › peer-review

3 Citations (Scopus)

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	https://doi.org/10.1142/S1088424612500885
Publication status	Published - 2012 Jan 1

Keywords

MCD spectroscopy
Michl's perimeter model
TD-DFT calculations
tetraphenyltetraphenanthroporphyrins

ASJC Scopus subject areas

Chemistry(all)

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10.1142/S1088424612500885

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AU - MacK, John

AU - Lobb, Kevin

AU - Nyokong, Tebello

AU - Shen, Zhen

AU - Kobayashi, Nagao

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AB - 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.

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KW - TD-DFT calculations

KW - tetraphenyltetraphenanthroporphyrins

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