Structural parameters<i>versus</i>third-order optical susceptibility of zinc porphyrin molecules
Amina Yasin, Vijayakumar Sadasivan Nair, Mohd Hasbi Ab. Rahim, Yoshihisa Yamaoka, Chandra S. Yelleswarapu, Rajan Jose
Abstract
Third-order NLO properties of Zn porphyrins are correlated to their structures by combining experiments and DFT calculations adopting six strategies. Molecules of lesser π-electron conjugation are also shown to have higher NLO characteristics.
Topics & Concepts
PorphyrinMaterials scienceMoleculeZincOrder (exchange)Third orderComputational chemistryChemical physicsCrystallographyMolecular physicsPhotochemistryOrganic chemistryChemistryMetallurgyTheologyPhilosophyEconomicsFinancePorphyrin and Phthalocyanine ChemistryNonlinear Optical Materials ResearchLuminescence and Fluorescent Materials