Prediction of Nonlinear Optical Effects for Phenyl-Substituted Nickel Dithiolenes

1997 ◽  
Vol 479 ◽  
Author(s):  
Steven Trohalaki ◽  
Robert J. Zellmer ◽  
Ruth Pachter
Keyword(s):  
Thermal Stability ◽  
Nonlinear Optical ◽  
Phenyl Group ◽  
High Thermal Stability ◽  
Torsional Angle ◽  
Hartree Fock ◽  
Optical Effects ◽  
Nonlinear Optical Effects ◽  
Optical Applications ◽  
Nonlinear Optical Applications

AbstractNickel dithiolene complexes, known for their strong NIR absorptions, high thermal stability, and lightfastness, are being considered for nonlinear-optical applications. In particular, phenylsubstituted nickel dithiolenes may be of interest because it has recently been shown that the hyperpolarizability of a phenyl-substituted 1,3-dithiole can be strongly dependent on the torsional angle of the phenyl group relative to the dithiole ring [1]. We report results from Hartree-Fock ab initio calculations of the second hyperpolarizability as a function of phenyl torsion.

scholarly journals Theoretical and experimental comparative studies of nonlinear optical properties for selected melaminium compounds

2010 ◽  
Vol 8 (6) ◽  
pp. 1192-1202 ◽  
Author(s):  
Marek Drozd ◽  
Mariusz Marchewka
Keyword(s):  
Optical Properties ◽  
Acetic Acid ◽  
Nonlinear Optical ◽  
Time Dependent ◽  
X Ray ◽  
Hartree Fock ◽  
Optical Applications ◽  
Experimental Values ◽  
Nonlinear Optical Applications ◽  
Theoretical Results

AbstractThe bis(melaminium) sulphate dihydrate, 2,4,6-triamine-1,3,5-triazin-1,3-ium tartrate monohydrate, 2,4,6-triamine-1,3,5-triazin-1-ium hydrogenphthalate, 2,4,6-triamine-1,3,5-triazin-1-ium acetate acetic acid solvate monohydrate, 2,4,6-triamine-1,3,5-triazin-1-ium bis(selenate) trihydrate, melaminium diperchlorate hydrate, melaminium bis(trichloroacetate) monohydrate and melaminium bis(4-hydroxybenzenesulphonate) dihydrate were discovered recently as perspective materials for nonlinear optical applications. On the basis of X-ray structures for eight melaminium compounds the time dependent Hartree Fock (TDHF) method was used for calculation of the polarizability, and first and second hyperpolarizability. Detailed directional studies of calculated hyperpolarizability for all investigated melaminium compounds are shown. The theoretical results are compared with experimental values of β.

Processable Cross-Linked Polymers for Nonlinear Optical Applications

1993 ◽  
Vol 328 ◽  
Author(s):  
R. Ellen Harelstad ◽  
Cecil V. Francis ◽  
Peter C. Leung ◽  
Paul F. Korkowski ◽  
Kenneth M. White ◽  
...  
Keyword(s):  
Thermal Stability ◽  
Nonlinear Optical ◽  
Barbituric Acid ◽  
Crystalline Form ◽  
Thermally Stable ◽  
Optical Applications ◽  
The Stability ◽  
Nonlinear Optical Applications ◽  
Thermal Stability Of

ABSTRACTNovel difunctional barbituric acid methine dyes have been synthesized for nonlinear optical applications. These Molecules have been reacted with Multi-functional isocyanates resulting in cross-linked polyurethanes. The thermal stability of the dye in crystalline form as well as dissolved in poly (Methylmethacrylate) was studied. Results suggest that although the dye crystals were thermally stable to 300 °C, when dissolved in a polymer the stability was markedly lower.

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