Issue 39, 2012
From the journal:

Chemical Communications

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

Christopher J. Ziegler,*a   Jared R. Sabin,b   G. Richard Geier, III*c  and  Victor N. Nemykin*b  

* Corresponding authors

a Department of Chemistry, University of Akron, Akron, USA
E-mail: ziegler@uakron.edu

b Department of Chemistry & Biochemistry, University of Minnesota Duluth, Duluth, USA
E-mail: vnemykin@d.umn.edu

c Department of Chemistry, Colgate University, Hamilton, USA
E-mail: ggeier@colgate.edu

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.

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

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Article information

DOI
https://doi.org/10.1039/C2CC31146A
Article type
Communication
Submitted
15 Feb 2012
Accepted
18 Mar 2012
First published
20 Mar 2012

Chem. Commun., 2012,48, 4743-4745

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

C. J. Ziegler, J. R. Sabin, G. R. Geier and V. N. Nemykin, Chem. Commun., 2012, 48, 4743 DOI: 10.1039/C2CC31146A

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