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Updated: Jul 16, 2026
Hyperspectral Imaging as a Tool to Study Optical Anisotropy in Lanthanide-Based Molecular Single Crystals
Published on: April 14, 2020
Linear optical transmission measurements and computational study of linear polarizabilities, first
Asli Karakas1, Ayhan Elmali, Huseyin Unver
1Department of Physics, Faculty of Arts and Sciences, Selçuk University, 42049 Campus, Konya, Turkey. karakasasli@yahoo.com
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 (mu) and dispersion-free first hyperpolarizabilities (beta) using Finite Field second-order MØller-Plesset perturbation (FF MP2) procedure; and also dispersion-free linear polarizabilities (alpha), frequency-dependent linear polarizabilities within the linear optical spectrum and first hyperpolarizabilities at lambda=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.
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