Issue 23, 2003
From the journal:

Chemical Communications

A TDDFT description of the low-energy excited states of copper and zinc metalloenediynes†

Aurora E. Clark,a   Ernest R. Davidsona  and  Jeffrey M. Zaleski*a  

* Corresponding authors

a Department of Chemistry, Indiana University, Bloomington, IN, USA
E-mail: Zaleski@indiana.edu
Fax: 812-855-8300
Tel: 812-855-2134

Abstract

Time-dependent density functional theory shows that the photoreactivities of copper and zinc metalloenediynes derive from multi-configurational excited states involving the enediyne and pyridine π systems.

Graphical abstract: A TDDFT description of the low-energy excited states of copper and zinc metalloenediynes

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Article information

DOI
https://doi.org/10.1039/B308633J
Article type
Communication
Submitted
23 Jul 2003
Accepted
19 Aug 2003
First published
22 Oct 2003

Chem. Commun., 2003, 2876-2877

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A TDDFT description of the low-energy excited states of copper and zinc metalloenediynes

A. E. Clark, E. R. Davidson and J. M. Zaleski, Chem. Commun., 2003, 2876 DOI: 10.1039/B308633J

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