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Theoretical study of linear and nonlinear absorption in platinum-organic compounds
2002 (English)In: Chemical Physics, ISSN 0301-0104, E-ISSN 1873-4421, Vol. 285, no 2-3, 207-220 p.Article in journal (Refereed) Published
Abstract [en]

First principle quantum chemical methods have been employed in the calculations of the linear and nonlinear ground state absorption in platinum-organic compounds, some of which include charge-transfer groups. The theoretical results show several ways to tailor the linear absorption to a desired wave length region. Spin-orbit induced transitions are discussed and characterized. The nonlinear absorption cross-sections are strongly enhanced by the introduction of charge-transfer units, whereas the linear oscillator strengths remain essentially unaffected by the same ligand substitutions. The charge-transfer substitutions are also accompanied by red-shifts in the linear absorption spectra.

Place, publisher, year, edition, pages
2002. Vol. 285, no 2-3, 207-220 p.
Keyword [en]
organic compound, platinum derivative, absorption spectroscopy, article, calculation, electric conductivity, molecular interaction, oscillation, quantum mechanics, quantum theory, transport kinetics
National Category
Theoretical Chemistry
Identifiers
URN: urn:nbn:se:kth:diva-198804DOI: 10.1016/S0301-0104(02)00805-4Scopus ID: 2-s2.0-0037114595OAI: oai:DiVA.org:kth-198804DiVA: diva2:1058924
Note

QC 20161222

Available from: 2016-12-21 Created: 2016-12-21 Last updated: 2016-12-22Bibliographically approved

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