Differences in Two-Photon and One-Photon Absorption Profiles Induced by Vibronic Coupling : The Case of Dioxaborine Heterocyclic Dye

• 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.

Subject headings

NATURVETENSKAP  -- Kemi -- Fysikalisk kemi (hsv//swe)

NATURAL SCIENCES  -- Chemical Sciences -- Physical Chemistry (hsv//eng)

Keyword

ab initio calculations

density functional calculations

laser spectroscopy

nonlinear optics

spectroscopic methods

Publication and Content Type

ref (subject category)

art (subject category)