0000000001248623

AUTHOR

Rashid R. Valiev

0000-0002-2088-2608

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Photophysical properties of the triangular [Au(HNCOH)]3 complex and its dimer

2020

Rate constants for radiative and non-radiative transitions of the [Au(HNCOH)]3 complex and its dimer were calculated within the Herzberg–Teller approximation based on quantum mechanical principles. A high triplet quantum yield was estimated for the monomer. Internal conversion (IC) was found to be the major competing process to the intersystem crossing (ISC) from the lowest excited singlet state (S1) to the lowest triplet state (T1). ISC and IC from the spin-mixed 1 state also dominate the triplet relaxation process resulting in a negligible phosphorescence quantum yield for the monomer. The IC and ISC rate constants of the dimer are considerably smaller due to much lower Franck–Condon fact…

Materials scienceDimerRelaxation (NMR)General Physics and AstronomyQuantum yield02 engineering and technology010402 general chemistry021001 nanoscience & nanotechnologyInternal conversion (chemistry)01 natural sciences7. Clean energyMolecular physics0104 chemical scienceschemistry.chemical_compoundIntersystem crossingchemistryPhysical and Theoretical ChemistryPerturbation theoryTriplet state0210 nano-technologyPhosphorescencePhysical Chemistry Chemical Physics
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