Effect of -butyl groups on electronic communication between redox units in tetrathiafulvalene-tetraazapyrene triads.

Chem Commun (Camb)

Department of Chemistry, Biochemistry and Pharmaceutical Sciences, University of Bern, Freiestrasse 3, Bern CH-3012, Switzerland.

Published: December 2021

The electronic effect of -butyl groups on intramolecular through-bond interactions between redox units in tetrathiafulvalene-tetraazapyrene (TAP) triads is investigated. The insertion of -butyl groups raises the TAP-localised LUMO level by 0.21 eV, in fairly good agreement with 0.17 eV determined by DFT calculations.

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http://www.ncbi.nlm.nih.gov/pmc/articles/PMC8640732PMC
http://dx.doi.org/10.1039/d1cc05671aDOI Listing

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