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

ABSTRACT: 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.

SUBMITTER: Zhou P

PROVIDER: S-EPMC8640732 | biostudies-literature | 2021 Dec

REPOSITORIES: biostudies-literature

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

Zhou Ping P Aschauer Ulrich U Decurtins Silvio S Feurer Thomas T Häner Robert R Liu Shi-Xia SX

Chemical communications (Cambridge, England) 20211203 96

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. ...[more]

PMID: 34792067

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