Abstract
The optical transmission spectral study of a dinuclear metal complex [FeL(MeOH)Cl] 2 (L = N-(5-methylphenyl)-3-methoxysalicylaldimine) has been carried out. The linear optical characterization shows that this molecule has transparency in the visible range. To understand linear optical and microscopic second-order nonlinear optical (NLO) behavior of the compound, we have computed the electric dipole moment ( μ) and dispersion-free first hyperpolarizabilities ( β) using Finite Field second-order MØller–Plesset perturbation (FF MP2) procedure; and also dispersion-free linear polarizabilities ( α), frequency-dependent linear polarizabilities within the linear optical spectrum and first hyperpolarizabilities at λ = 730–1050 and 1000–1400 nm wavelength areas using time-dependent Hartree-Fock (TDHF) method. The ab-initio calculation results reveal that the examined complex might have linear optical and microscopic NLO behavior with non-zero values.
Sign-in/Register to access full text options 
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 callMore From: Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy
Disclaimer: 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.
