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

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

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Autores principales: Zhou, Ping, Aschauer, Ulrich, Decurtins, Silvio, Feurer, Thomas, Häner, Robert, Liu, Shi-Xia
Formato: Online Artículo Texto
Lenguaje:English
Publicado: The Royal Society of Chemistry 2021
Materias:
Chemistry
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8640732/
https://www.ncbi.nlm.nih.gov/pubmed/34792067
http://dx.doi.org/10.1039/d1cc05671a
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author Zhou, Ping
Aschauer, Ulrich
Decurtins, Silvio
Feurer, Thomas
Häner, Robert
Liu, Shi-Xia
author_facet Zhou, Ping
Aschauer, Ulrich
Decurtins, Silvio
Feurer, Thomas
Häner, Robert
Liu, Shi-Xia
author_sort Zhou, Ping
collection PubMed
description The electronic effect of tert-butyl groups on intramolecular through-bond interactions between redox units in tetrathiafulvalene-tetraazapyrene (TAP) triads is investigated. The insertion of tert-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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spelling pubmed-86407322022-01-06 Effect of tert-butyl groups on electronic communication between redox units in tetrathiafulvalene-tetraazapyrene triads Zhou, Ping Aschauer, Ulrich Decurtins, Silvio Feurer, Thomas Häner, Robert Liu, Shi-Xia Chem Commun (Camb) Chemistry The electronic effect of tert-butyl groups on intramolecular through-bond interactions between redox units in tetrathiafulvalene-tetraazapyrene (TAP) triads is investigated. The insertion of tert-butyl groups raises the TAP-localised LUMO level by 0.21 eV, in fairly good agreement with 0.17 eV determined by DFT calculations. The Royal Society of Chemistry 2021-11-12 /pmc/articles/PMC8640732/ /pubmed/34792067 http://dx.doi.org/10.1039/d1cc05671a Text en This journal is © The Royal Society of Chemistry https://creativecommons.org/licenses/by-nc/3.0/
spellingShingle Chemistry
Zhou, Ping
Aschauer, Ulrich
Decurtins, Silvio
Feurer, Thomas
Häner, Robert
Liu, Shi-Xia
Effect of tert-butyl groups on electronic communication between redox units in tetrathiafulvalene-tetraazapyrene triads
title Effect of tert-butyl groups on electronic communication between redox units in tetrathiafulvalene-tetraazapyrene triads
title_full Effect of tert-butyl groups on electronic communication between redox units in tetrathiafulvalene-tetraazapyrene triads
title_fullStr Effect of tert-butyl groups on electronic communication between redox units in tetrathiafulvalene-tetraazapyrene triads
title_full_unstemmed Effect of tert-butyl groups on electronic communication between redox units in tetrathiafulvalene-tetraazapyrene triads
title_short Effect of tert-butyl groups on electronic communication between redox units in tetrathiafulvalene-tetraazapyrene triads
title_sort effect of tert-butyl groups on electronic communication between redox units in tetrathiafulvalene-tetraazapyrene triads
topic Chemistry
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8640732/
https://www.ncbi.nlm.nih.gov/pubmed/34792067
http://dx.doi.org/10.1039/d1cc05671a
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