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Aggregating gold(I) complexes in solution through short aurophilic contacts promotes new photoluminescent deactivation pathways (aggregation-induced emission, AIE). The time dependence of spontaneous AIE is seldom studied. We examine the behavior of complex [Au(-hypoxanthinate)(PTA)] () in an aqueous solution with the aid of variable-temperature NMR, time-resolved UV-Vis and photoluminescence spectroscopy, and PGSE NMR. The studies suggest that partial ligand scrambling in favor of the ionic [Au(PTA)][Au(-hypoxanthinate)] pair followed by anion oligomerization takes place. The results are rationalized with the aid of computational calculations at the TD-DFT level of theory and IRI analysis of the electron density.
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http://dx.doi.org/10.3390/molecules28155680 | DOI Listing |
Molecules
July 2023
Departamento de Química, Centro de Investigación en Síntesis Química (CISQ), Universidad de La Rioja, Madre de Dios 53, 26006 Logroño, Spain.
Aggregating gold(I) complexes in solution through short aurophilic contacts promotes new photoluminescent deactivation pathways (aggregation-induced emission, AIE). The time dependence of spontaneous AIE is seldom studied. We examine the behavior of complex [Au(-hypoxanthinate)(PTA)] () in an aqueous solution with the aid of variable-temperature NMR, time-resolved UV-Vis and photoluminescence spectroscopy, and PGSE NMR.
View Article and Find Full Text PDFTalanta
August 2020
Institute of Chemistry, Saint-Petersburg University, St.Petersburg State University, SPbSU, SPbU, 7/9 Universitetskaya nab., St. Petersburg, 199034, Russia.
A phenomenon of supramolecular solvents formation in aqueous solutions containing primary amine and monoterpenoid compound is presented for the first time. A novel supramolecular solvent-based liquid phase microextraction was developed. In an aqueous phase primary amine formed isotropic solution due to formation of amphiphile supramolecular assembly.
View Article and Find Full Text PDFPhys Chem Chem Phys
March 2012
National Institute for Nanotechnology, National Research Council of Canada, Edmonton, Alberta, Canada.
We applied a multiscale modeling approach that involves the statistical-mechanical three-dimensional reference interaction site model with the Kovalenko-Hirata closure approximation (3D-RISM-KH molecular theory of solvation) as well as density functional theory (DFT) of electronic structure to study the role of water in aggregation of the asphaltene model compound 4,4'-bis(2-pyren-1-yl-ethyl)-2,2'-bipyridine (PBP) [X. Tan, H. Fenniri and M.
View Article and Find Full Text PDF