8 research outputs found

    Two-Photon Absorption Spectra Of A Near-Ir Polymethine Molecule With A Broken Ground-State Symmetry

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    NIR polymethines are studied in two solvents of dissimilar polarity to investigate predictions of 2PA enhancements from ground-state symmetry-breaking (SB). However, electronvibrational coupling appears to predominate SB. © 2011 OSA

    Electronic Transitions In A Series Of 2-Azaazulene Polymethine Dyes With Different Π-Conjugation Lengths

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    A comprehensive quantum chemical analysis along with spectral-luminescence measurements has been performed for a new series of 2-azaazulene dyes with different conjugation lengths (n) to better understand the nature of their electronic transitions. The remarkably large red shift of their main absorption bands at relatively small n is connected with the existence of totally delocalized HOMO and LUMO. Symmetry breaking is observed experimentally at n = 3 in polar solvents and theoretically at n = 5 in vacuum. Analysis shows the existence of two types of molecular orbitals (MOs): local with the charge mainly localized within the terminal groups, and delocalized with the charge distributed throughout the molecule. Correspondingly, three types of electronic transitions are present: between delocalized MOs; between one local and one delocalized MO, and between local MOs only, which is important for predicting the positions of electronic transitions to the chain length. © 2012 Elsevier B.V. All rights reserved

    Two-photon absorption spectra of a near-IR polymethine molecule with a broken ground-state symmetry

    No full text
    NIR polymethines are studied in two solvents of dissimilar polarity to investigate predictions of 2PA enhancements from ground-state symmetry-breaking (SB). However, electronvibrational coupling appears to predominate SB. © 2011 OSA
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