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Vibrational Spectra of a N719-Chromophore/Titania Interface from Empirical-Potential Molecular-Dynamics Simulation, Solvated by a Room Temperature Ionic Liquid
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Vibrational Spectra of a N719-Chromophore/Titania Interface from Empirical-Potential Molecular-Dynamics Simulation, Solvated by a Room Temperature Ionic Liquid

Published on: January 25, 2020

Curious matrix effects: a computational, electron diffraction, and vibrational spectroscopic study of dysprosium

Zoltán Varga1, Cornelis Petrus Groen, Mária Kolonits

  • 1Materials Structure and Modeling Research Group of the Hungarian Academy of Sciences, Budapest University of Technology and Economics, P.O. Box 91, 1521, Budapest, Hungary.

Dalton Transactions (Cambridge, England : 2003)
|June 3, 2010
PubMed
Summary

High-level computations and spectroscopy reveal dysprosium triiodide (DyI(3)) is planar. Dimer geometry is influenced by 4f orbital occupation, with matrix isolation showing complex formation.

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