Lambert, Christoph and Gaschler, Wolfgang and Schmaelzlin, Elmar and Meerholz, Klaus and Braeuchle, Christoph (1999) Subchromophore interactions in tricyanovinyl-substituted triarylamines - a combined experimental and computational study. JOURNAL OF THE CHEMICAL SOCIETY-PERKIN TRANSACTIONS 2 (3). pp. 577-587. ISSN 0300-9580,
Full text not available from this repository. (Request a copy)Abstract
The electronic coupling between the phenyl substituents of mono-, bis-, and tris(tricyanovinyl)-substituted triphenylamines (1, 2, 2-OMe and 3) have been investigated by various methods: the splitting of excited states was taken as a measure of the interaction. These splittings can be seen in the optical absorption spectra; exciton coupling theory was also used to estimate electronic coupling of the excited states; redox potentials gave coupling energies of charged ground state species as well as Hush analysis of intervalence charge-transfer bands (IV-CT), which were observed by UV-Vis-NIR spectroelectrochemistry, and finally, the quadratic hyperpolarisability measured by hyper-Rayleigh scattering was used to estimate excited state couplings. The results of these methods were compared to semiempirical AM1 calculations and suggest the subchromophore interactions to be weak compared to the band width of the UV-spectra. Nevertheless, the quadratic hyperpolarisability is enhanced in the two-dimensional tris(tricyanovinylphenyl)amine compared to its one-dimensional analogue.
| Item Type: | Article |
|---|---|
| Uncontrolled Keywords: | NONLINEAR-OPTICAL-PROPERTIES; HYPER-RAYLEIGH SCATTERING; ELECTRON-TRANSFER RATES; MIXED-VALENCE MOLECULES; EXCITED-STATE; FIRST HYPERPOLARIZABILITY; TRIPHENYLMETHANE DYES; EXCHANGE INTERACTION; OCTUPOLAR MOLECULES; RADICAL CATIONS; |
| Subjects: | 500 Science > 540 Chemistry & allied sciences |
| Divisions: | Chemistry and Pharmacy > Institut für Organische Chemie |
| Depositing User: | Dr. Gernot Deinzer |
| Date Deposited: | 15 Nov 2022 11:24 |
| Last Modified: | 15 Nov 2022 11:24 |
| URI: | https://pred.uni-regensburg.de/id/eprint/48476 |
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