Abstract
In this work, the linear and nonlinear optical properties of a series of octupolar Zn(II) complexes with highly aromatic polypyridine ligands are investigated. The effect of the metal center on the spectroscopic properties of octupolar Zn (II) complexes are explored and compared to its respective free ligands. DFT and TD-DFT calculations were performed to gain more insights about the electronic and structural properties of these compounds. The aromaticity index of ligands and its modulation by Zn(II) in complexes was also theoretically studied. Quadratic hyperpolarizabilities (β) were determined by using the Hyper-Light Scattering (HLS) technique at 1.06μm.Results show that β values of the octupolar Zn(II) complexes are around three times higher than those of their respective ligands, which correlates with the number of ligands directly coordinated to the metal center. These results show how Zn(II) plays a positive structural role in the elaboration of highly transparent and active nonlinear optical molecules, without a significant electronic effect on the individual ligand NLO response, as expected when increasing the aromaticity of conjugated molecules.
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
