Now showing items 1-5 of 5
Breakdown of the mirror image symmetry in the optical absorption/emission spectra of oligo(para-phenylene)s
(Georgia Institute of Technology, 2005-01)
The absorption and emission spectra of most luminescent, π-conjugated, organic molecules are the mirror image of each other. In some cases, however, this symmetry is severely broken. In the present work, the asymmetry ...
Quantum-chemical investigation of second-order nonlinear optical chromophores: Comparison of strong nitrile-based acceptor end groups and role of auxiliary donors and acceptors
(Georgia Institute of Technology, 2006-01)
We report a detailed quantum-chemical investigation of donor-acceptor substituted dipolar nonlinear optical chromophores incorporating the 4-(dimethylamino)phenyl donor end group and a variety of strong heterocyclic acceptor ...
Structure-property relationships for three-photon absorption in stilbene-based dipolar and quadrupolar chromophores
(Georgia Institute of Technology, 2006-07)
Based on essential-state models for three-photon absorption (3PA), we have investigated the structure-property relationships for stilbene-based dipolar and quadrupolar chromophores. The emphasis lies on the evolution of ...
Three-photon absorption in anthracene-porphyrin-anthracene triads: A quantum-chemical study
(Georgia Institute of Technology, 2004-12)
We have applied correlated quantum-chemical methods to investigate the three-photon absorption (3PA) response of a porphyrin triad derivative, where the central macrocycle is linked in mesopositions to two anthracene units ...
Effective conjugation and Raman intensities in oligo(para-phenylene)s: A microscopic view from first-principles calculations
(Georgia Institute of Technology, 2005-03)
Electron-phonon coupling in oligo(para-phenylene)s is addressed in terms of the off-resonance Raman intensities of two distinct modes at 1220 and 1280 cm−1. On the basis of Albrecht’s theory, vibrational coupling and Raman ...