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Electronic and vibronic contributions to two-photon absorption of molecules with multi-branched structures
2000 (English)In: Journal of Chemical Physics, ISSN 0021-9606, E-ISSN 1089-7690, 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.
Keyword [en]
Charge transfer, Electron transitions, Electronic structure, Ground state, Light absorption, Light polarization, Multiphoton processes, Electronic coupling, Two-photon absorption, Molecular dynamics
National Category
Theoretical Chemistry
Identifiers
URN: urn:nbn:se:kth:diva-198815DOI: 10.1063/1.1313559ScopusID: 2-s2.0-0034324433OAI: oai:DiVA.org:kth-198815DiVA: diva2:1058919
Conference
Woodbury, NY, United States
Note

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Available from: 2016-12-21 Created: 2016-12-21 Last updated: 2017-01-12Bibliographically approved

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