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Electronic and vibronic contributions to two-photon absorption of molecules with multi-branched structures
Theoretical Chemistry, Royal Institute of Technology, S-100 44 Stockholm, Sweden.
Theoretical Chemistry, Royal Institute of Technology, S-100 44 Stockholm, Sweden.
Linköping University, The Institute of Technology. Linköping University, Department of Physics, Chemistry and Biology, Computational Physics .
Ågren, H., Theoretical Chemistry, Royal Institute of Technology, S-100 44 Stockholm, Sweden.
2000 (English)In: Journal of Chemical Physics, ISSN 0021-9606, Vol. 113, no 17, 7055-7061 p.Article in journal (Refereed) Published
Abstract [en]

The two-photon absorption (TPA) cross-sections of series molecules with multi-branched structures was analyzed using ab initio response theory. The electronic coupling between the different arms of multi-branched molecules was found not very efficient for increasing the TPA cross-sections. In the case of two-dimensional charge-transfer cumulene-containing aromatic molecules, the TPA cross-section was drastically enhanced by increasing the dimensionality of the charge-transfer network. The vibronic coupling, was strong in multi-branched structures, which can result in an enhancement of the TPA cross-section.

Place, publisher, year, edition, pages
2000. Vol. 113, no 17, 7055-7061 p.
National Category
Engineering and Technology
Identifiers
URN: urn:nbn:se:liu:diva-47513DOI: 10.1063/1.1313559OAI: oai:DiVA.org:liu-47513DiVA: diva2:268409
Available from: 2009-10-11 Created: 2009-10-11 Last updated: 2011-01-14

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