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Theoretical study of linear and nonlinear absorption in platinum-organic compounds

TitleTheoretical study of linear and nonlinear absorption in platinum-organic compounds
AuthorsP. Norman, P. Cronstrand and J. Ericsson
CitationChemical Physics, 285 (2002) 207-220
Doi:
Year2002
FieldMolecular electronics and photonics
SectionNLO in molecules
Sub-sectiongeneral NLO in molecules
Keywordsplatinum-ethynyl two photon absorption response
AbstractFirst principle quantum chemical methods have been employed in the calculations of the linear and nonlinear ground state absorption in platinum-ethynyl compounds, some of which include charge-transfer groups. The theoretical results shows 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

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