The first TDDFT and MCD studies of free base triarylcorroles: a closer look into solvent-dependent UV-visible absorption

Christopher J Ziegler; Jared R Sabin; G Richard Geier 3rd; Victor N Nemykin

doi:10.1039/c2cc31146a

The first TDDFT and MCD studies of free base triarylcorroles: a closer look into solvent-dependent UV-visible absorption

Chem Commun (Camb). 2012 May 16;48(39):4743-5. doi: 10.1039/c2cc31146a. Epub 2012 Apr 5.

Authors

Christopher J Ziegler¹, Jared R Sabin, G Richard Geier 3rd, Victor N Nemykin

Affiliation

¹ Department of Chemistry, University of Akron, Akron, OH 44325, USA. ziegler@uakron.edu

PMID: 22476207
DOI: 10.1039/c2cc31146a

Abstract

Absorption spectra of several free base triarylcorroles were investigated by MCD spectroscopy. The MCD spectra exhibit unusual sign-reverse (positive-to-negative intensities in ascending energy) features in the Soret- and Q-type band regions, suggesting a rare ΔHOMO < ΔLUMO relationship between π and π* MOs in the corrole core.