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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

References: Bhawalkar, J.D., He, G.S., Prasad, P.N., (1996) Rep. Prog. Phys., 59, p. 1041; Reinhardt, B.A., Brott, L.L., Clarson, S.J., Dillard, A.G., Bhatt, J.C., Kannan, R., Yuan, L., Prasad, P.N., (1998) Chem. Mater., 10, p. 1863; Albota, M., Beljonne, D., Brédas, J.L., Ehrlich, J.E., Fu, J., Heikal, A.A., Hess, S.E., Xu, C., (1998) Science, 281, p. 1653; Norman, P., Luo, Y., Ågren, H., (1998) Chem. Phys. Lett., 296, p. 8; Norman, P., Luo, Y., Ågren, H., (1999) Opt. Commun., 168, p. 297; Kogej, T., Beljonne, D., Meyers, F., Perry, J.W., Marder, S.R., Brédas, J.L., (1998) Chem. Phys. Lett., 298, p. 1; Luo, Y., Norman, P., Macak, P., Ågren, H., (2000) J. Phys. Chem., 104, p. 4718; Norman, P., Luo, Y., Ågren, H., (1999) J. Chem. Phys., 111, p. 7758; Chung, S.-J., Kim, K.-S., Lin, T.-C., He, G.S., Swiatkiewitz, J., Prasad, P.N., (1999) J. Phys. Chem. B, 103, p. 10741; Monson, P.R., McClain, W.M., (1970) J. Chem. Phys., 53, p. 29; Shen, Y.R., (1984) The Principles of Nonlinear Optics, , Wiley, New York; Macak, P., Luo, Y., Ågren, H., Chem. Phys. Lett., , in press; Helgaker, T., Jensen, H.J.Aa., Jørgensen, P., Olsen, J., Ruud, K., Ågren, H., Andersen, T., Vahtras, O., (1977) Dalton, An Ab Initio Electronic Structure Program, Release 1.0, , http://www.kjemi.uio.no/software/dalton/dalton.html; McClain, W.M., (1971) J. Chem. Phys., 55, p. 2789; Callis, P.R., (1997) Annu. Rev. Phys. Chem., 48, p. 271; Honig, B., Jortner, J., (1967) J. Chem. Phys., 46, p. 2714; Rava, R.P., Goodman, L., Jespersen, K.K., (1981) J. Chem. Phys., 74, p. 273; Luo, Y., Ågren, H., Knuts, S., Minaev, B., Jørgensen, P., (1993) Chem. Phys. Lett., 209, p. 513; Luo, Y., Ågren, H., Knuts, S., Jørgensen, P., (1993) Chem. Phys. Lett., 213, p. 356. QCR 20170112

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

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