Computational studies of the nonlinear optical properties of organometallic complexes

MS Kodikara, R Stranger, MG Humphrey - Coordination Chemistry Reviews, 2018 - Elsevier
Computational methods for calculating the molecular nonlinear optical (NLO) properties of
molecules are reviewed, with an emphasis on clarifying the strengths and weaknesses of …

Synthesis, structural characterization and computational study of a novel amino chalcone: a potential nonlinear optical material

LR Almeida, MM Anjos, GC Ribeiro… - New Journal of …, 2017 - pubs.rsc.org
The interest for novel chalcone-based materials in nonlinear optics is dependent on strong
second harmonic generation in organic systems. Chalcones are α, β-unsaturated ketones …

A novel acid-controlled second-order nonlinear optical switch based on dimethyldihydropyrene/cyclophanediene photoswitch

Y Yao, HL Xu, ZM Su - Journal of Materials Chemistry C, 2022 - pubs.rsc.org
Nonlinear optical (NLO) switches, especially multi-state NLO switches, have attracted much
attention because of their applications in optical memory with multiple storage and …

A comparative molecular structure–NLO activity study of ortho-bridged dibenzaldehydes: Synthesis, crystal structure, SHG, and DFT studies

AI Jothi, MWB Paul, V Alexander - Journal of Molecular Structure, 2022 - Elsevier
Structural and second order nonlinear optical characteristics of four ortho-bridged
dibenzaldehydes with alkyloxy-and xylenyloxy linkers are compared from the XRD, UV-Vis …

Strong Solvent Effects on the Nonlinear Optical Properties of Z and E Isomers from Azo-Enaminone Derivatives

DFS Machado, TO Lopes, IT Lima… - The Journal of …, 2016 - ACS Publications
We calculated the nonlinear optical properties of 24 azo-enaminone derivatives,
incorporating solvent effects on their geometric and electronic structure, to assess the impact …

[HTML][HTML] Theoretical study on the third-order nonlinear optical properties and structural characterization of 3-Acetyl-6-Bromocoumarin

AN Castro, LR Almeida, MM Anjos, GR Oliveira… - Chemical Physics …, 2016 - Elsevier
Coumarin derivatives exist widely in nature and show a wide range of biological activities
such as anti-inflammatory, anti-oxidative and anti-cancer. The structure of C 11 H 7 BrO 3 …

[PDF][PDF] Third-Order Nonlinear Optical Properties of a Carboxylic Acid Derivative.

C Valverde, SA de Lima e Castro… - Acta Chimica …, 2018 - pdfs.semanticscholar.org
We report a study of the structural and electrical properties of a carboxylic acid derivative
(CAD) with structural formula C5H8O2 ((E)-pent-2-enoic acid). Using the Møller-Plesset …

A theoretical investigation of electric properties of L-arginine phosphate monohydrate including environment polarization effects

TL Fonseca, JR Sabino, MA Castro… - The Journal of chemical …, 2010 - pubs.aip.org
The dipole moment (μ)⁠, linear polarizability (α)⁠, and first hyperpolarizability (β tot) of the
asymmetric unit of L-arginine phosphate (LAP) monohydrate crystal are investigated using …

Contribution of directional dihydrogen interactions in the supramolecular assembly of single crystals: quantum chemical and structural investigation of C17H17N3O2 …

LR de Almeida, PS Carvalho Jr… - Crystal Growth & …, 2017 - ACS Publications
Crystalline systems can be organized from several types of intermolecular interactions,
among which classical and weak H-bonds are the most common, playing a very important …

Calculation of the geometry, absorption spectrum, and first hyperpolarizability of 4, 5-dicyanoimidazole derivatives in solution. A multiscale ASEC–FEG study

I Brandão, HC Georg, MA Castro… - The Journal of Chemical …, 2024 - pubs.aip.org
We investigate the effects of solvents on the geometry, absorption spectrum, and first
hyperpolarizability of six push–pull molecules, each containing a 4, 5-dicyanoimidazole …