Journal ArticleDOI
Molecular crystals and polymers for nonlinear optics
Christian Bosshard,Georg Knoepfle,Philippe Pretre,S. Follonier,Christophe Serbutoviez,Peter Guenter +5 more
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In this paper, the second-harmonic generation in highly conjugated organic molecules and molecular crystals recently developed in our group, as well as on electro-optic eftects in thin-film polymers was investigated.Abstract:
We present new experimental results on second-harmonic generation in highly conjugated organic molecules and molecular crystals recently developed in our group, as well as on electro-optic eftects in thin-film polymers. A large value of the molecular hyperpolarizability of a new hydrazone-type molecule crystallizing in a noncentrosymmetric point group is reported. Large nonlinear optical coefticients of up to 840 ± 200 pmN were measured in crystals of 4'-dimethylamino-N-methyl-4-stilbazolium tosylate (DAST). The new experimental results are compared with theoretical calculations of limiting values of nonlinear optical coefticients. Computer modeling of crystal structures shows good agreement with experimental results. Measurements on electro-optic polymers with high thermal stability are presented.read more
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Book ChapterDOI
Polymeric Materials and their Orientation Techniques for Second-Order Nonlinear Optics
TL;DR: In this paper, a review article describes recent developments in the field of second-order nonlinear optical polymers with specific focus on their characterization methods, materials synthesis, chromophore orientation techniques, and device applications.
Journal ArticleDOI
Crystal growth and characterization of the organic salt 4-N, N-dimethylamino-4′-N-methyl-stilbazolium tosylate (dast)
Journal ArticleDOI
Parametric interactions in the organic salt 4-N,N-dimethylamino-4 ' -N ' - methyl-stilbazolium tosylate at telecommunication wavelengths
TL;DR: In this article, the organic salt 4-N,N-dimethylamino-4′-N′-methyl-stilbazolium tosylate, originally developed for electro-optic applications, is also a very interesting material for phase-matched parametric interactions such as frequency-doubling and optic parametric oscillation in the near infrared.
Journal ArticleDOI
Quantum computational, Spectroscopic Investigations on N-(2-((2-chloro-4,5-dicyanophenyl)amino)ethyl)-4-methylbenzenesulfonamide by DFT/TD-DFT with Different Solvents, Molecular Docking and Drug-Likeness Researches
TL;DR: In this article , the experimental (x-ray, FT-IR NMR and UV-Vis) and theoretical researches of N-(2-((2-chloro-4,5-dicyanophenyl)amino)ethyl)-4-methylbenzenesulfonamide molecule were conducted.
Journal Article
Nondegenerate four wave mixing in integrated optics (A)
R. Normandin,George I. Stegeman +1 more
TL;DR: Nondegenerate four-wave mixing is demonstrated in Ti in-diffused lithium niobate waveguides and the second-order nonlinear interaction between two oppositely propagating guided modes was observed to generate a radiation field into a direction perpendicular to the surface during the overlap of the incident waves.
References
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Journal ArticleDOI
CHARMM: A program for macromolecular energy, minimization, and dynamics calculations
Bernard R. Brooks,Robert E. Bruccoleri,Barry D. Olafson,David J. States,S. Swaminathan,Martin Karplus +5 more
TL;DR: The CHARMM (Chemistry at Harvard Macromolecular Mechanics) as discussed by the authors is a computer program that uses empirical energy functions to model macromolescular systems, and it can read or model build structures, energy minimize them by first- or second-derivative techniques, perform a normal mode or molecular dynamics simulation, and analyze the structural, equilibrium, and dynamic properties determined in these calculations.
Journal ArticleDOI
Development and use of quantum mechanical molecular models. 76. AM1: a new general purpose quantum mechanical molecular model
TL;DR: In this paper, a new parametric quantum mechanical molecular model, AM1 (Austin Model l), based on the NDDO approximation, is described, in which the major weaknesses of MNDO, in particular failure to reproduce hydrogen bonds, have been overcome without any increase in computing time.
Journal ArticleDOI
UFF, a full periodic table force field for molecular mechanics and molecular dynamics simulations
TL;DR: In this article, the Universal force field (UFF) is described, where the force field parameters are estimated using general rules based only on the element, its hybridization, and its connectivity.
Journal ArticleDOI
DREIDING: A generic force field for molecular simulations
TL;DR: The DREIDING force field as discussed by the authors uses general force constants and geometry parameters based on simple hybridization considerations rather than individual force constants or geometric parameters that depend on the particular combination of atoms involved in the bond, angle, or torsion terms.
Journal ArticleDOI
On the Temperature Dependence of Cooperative Relaxation Properties in Glass‐Forming Liquids
Gerold Adam,Julian H. Gibbs +1 more
TL;DR: In this paper, a molecularkinetic theory was proposed to explain the temperature dependence of relaxation behavior in glass-forming liquids in terms of the temperature variation of the size of the cooperatively rearranging region.