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[Re(η6-C6H5-benzimidazole)2]+ and Derivatives as Dye Mimics; Synthesis, UV Absorption Studies and DFT Calculations


Gotzmann, Carla; Blacque, Olivier; Fox, Thomas; Alberto, Roger (2021). [Re(η6-C6H5-benzimidazole)2]+ and Derivatives as Dye Mimics; Synthesis, UV Absorption Studies and DFT Calculations. European Journal of Inorganic Chemistry, 2021(25):2493-2498.

Abstract

Functionalizations of highly oxidation and hydrolysis stable mono-cationic rhenium bis-arene complexes [Re(η6-C6H6)2]+ are of great interest. We directly built up structural features of the well-known Hoechst Dye on the coordinated arenes as a model for prospective DNA minor groove binding studies. Extensions of the aromatic bis-arene unit with functionalized and derivatized benzimidazole moieties resulted in a deep orange colour of the complexes, showing UV/Vis absorption spectra with multiple transition maxima. These have been assigned with support of DFT calculations to gain information about their charge transfer natures. The different transitions of the complexes, which are either intra-ligand, ligand-to-ligand or metal-to-ligand charge transitions, were additionally compared and discussed with the spectra of the corresponding free ligands.

Abstract

Functionalizations of highly oxidation and hydrolysis stable mono-cationic rhenium bis-arene complexes [Re(η6-C6H6)2]+ are of great interest. We directly built up structural features of the well-known Hoechst Dye on the coordinated arenes as a model for prospective DNA minor groove binding studies. Extensions of the aromatic bis-arene unit with functionalized and derivatized benzimidazole moieties resulted in a deep orange colour of the complexes, showing UV/Vis absorption spectra with multiple transition maxima. These have been assigned with support of DFT calculations to gain information about their charge transfer natures. The different transitions of the complexes, which are either intra-ligand, ligand-to-ligand or metal-to-ligand charge transitions, were additionally compared and discussed with the spectra of the corresponding free ligands.

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Additional indexing

Item Type:Journal Article, refereed, original work
Communities & Collections:07 Faculty of Science > Department of Chemistry
Dewey Decimal Classification:540 Chemistry
Scopus Subject Areas:Physical Sciences > Inorganic Chemistry
Uncontrolled Keywords:Inorganic Chemistry
Language:English
Date:7 July 2021
Deposited On:13 Jan 2022 14:09
Last Modified:26 Feb 2024 02:42
Publisher:Wiley-Blackwell Publishing, Inc.
ISSN:1434-1948
OA Status:Hybrid
Free access at:Publisher DOI. An embargo period may apply.
Publisher DOI:https://doi.org/10.1002/ejic.202100294
Project Information:
  • : FunderUniversität Zürich
  • : Grant ID
  • : Project Title
  • Content: Published Version
  • Licence: Creative Commons: Attribution-NonCommercial-NoDerivatives 4.0 International (CC BY-NC-ND 4.0)