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Theoretical study of linear and nonlinear absorption in platinum-organic compounds
Linköping University, The Institute of Technology. Linköping University, Department of Physics, Chemistry and Biology, Computational Physics .
Theoretical Chemistry, Royal Institute of Technology, SE-100 44 Stockholm, Sweden.
2002 (English)In: Chemical Physics, ISSN 0301-0104, 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. © 2002 Elsevier Science B.V. All rights reserved.

Place, publisher, year, edition, pages
2002. Vol. 285, no 2-3, 207-220 p.
National Category
Engineering and Technology
URN: urn:nbn:se:liu:diva-46784DOI: 10.1016/S0301-0104(02)00805-4OAI: diva2:267680
Available from: 2009-10-11 Created: 2009-10-11 Last updated: 2011-01-13

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