Relationship between structure and nonlinear optical properties of new bisazo chromophores. Theoretical and experimental study

Abstract

Two new bisazo chromophores-derivatives of bis-2,2-(4-hydroxyphenyl)propane (bisphenol A), heterocyclic amines (2-aminobenzothiazole, and 2-amino-6-nitrobenzothiazole) and aniline-were synthesized. Nonlinear optical properties of these chromophores were studied by solvatochromic method (obtained compounds have b CT value *10 -29 esu). Dependence among the structure of molecules, their dipole moments, and first hyperpolarizabilities was considered on the basis of semi-empirical calculations. A correlation between the measured and calculated b values was studied. The NLO chromophores were used as special monomers to synthesize copolyarylates. The basic characterization of obtained polymers was carried out.

Femtosecond Third-Order Non-Linear Optical Properties of Unconstrained Green Fluorescence Protein Chromophores

“…The average second hyperpolarizability values γ are obtained for all the molecules using various DFT functionals (TD-CAMB3LYP) based on B3LYP/6-31G (d, p) optimized geometries. The γ values were calculated using two-state models (52), and the γ was evaluated for each molecule using the transition dipole moment and the excitation energy obtained in DMF by TD-CAMB3LYP. The calculated results are in good agreement with the experimental findings (Table 3).…”

Second-Order Polarizability and Temporal Stability of Epoxy Polymers Doped with Chromophore and with Chromophore Moieties in the Main Chain

“…A reasonable approximation for a is: a=r u +0.5r v . 14 It is useful for r u <r v <2r u where r u and r v are the spherical radii of the solute u and solvent v molecules, respectively: (4) where M v , ρ v , M u , and ρ u are molecular weights and liquid densities and N A is Avogadro's number.…”

“…The second-order polarizability values (β z ) of both p-NA and DGEBA-p-NA in SI units were determined according to Equation (1) 10,14 . Obtained β z values 109.7×10 -40 m 4 /V and 126.2×10 -40 m 4 /V (β esu =2.368×10 9 β SI ), respectively (at a wavelength of 1064 nm) that correlates well with the data obtained by quantum-chemical calculations 15,16 .…”

Interplay of thermochemistry and Structural Chemistry, the journal (volume 19, 2008) and the discipline

“…The search for compounds with high nonlinear optical susceptibilities for the synthesis of NLO polymer materials still continues and initiated the study by Zadro_ zna and Kaczorowska [59] who synthesized two new bisazo chromophores derivatives of bis-2,2-(4-hydroxyphenyl)propane, heterocyclic amines (2-aminobenzothiazole, 2-amino-6-nitrobenzothiazole) and aniline. The results of calculations and experiments show good nonlinear optical properties of the studied chromophores.…”