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Differences in Two-Photon and One-Photon Absorption Profiles Induced by Vibronic Coupling: The Case of Dioxaborine Heterocyclic Dye
KTH, School of Biotechnology (BIO), Theoretical Chemistry and Biology.ORCID iD: 0000-0003-0007-0394
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2011 (English)In: ChemPhysChem, ISSN 1439-4235, E-ISSN 1439-7641, Vol. 12, no 17, 3392-3403 p.Article in journal (Refereed) Published
Abstract [en]

A theoretical study of a dioxaborine heterocyclic compound in solution provides a case study for an analysis of the effects induced by the so-called HerzbergTeller (HT) vibronic coupling on the one- (OPA) and two-photon absorption (TPA) spectra. For TPA, the HT vibronic coupling induces differences in the shapes of the absorption band. The study highlights the importance of vibronic coupling as a potentially important mechanism in absorption spectroscopy, able to explain differences in the OPA/TPA spectra.

Place, publisher, year, edition, pages
2011. Vol. 12, no 17, 3392-3403 p.
Keyword [en]
ab initio calculations, density functional calculations, laser spectroscopy, nonlinear optics, spectroscopic methods
National Category
Physical Chemistry
URN: urn:nbn:se:kth:diva-58814DOI: 10.1002/cphc.201100500ISI: 000297693200035ScopusID: 2-s2.0-84962343774OAI: diva2:474511
QC 20120109Available from: 2012-01-09 Created: 2012-01-09 Last updated: 2012-01-09Bibliographically approved

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Luo, Yi
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