Influence of isomerization on nonlinear optical properties of molecules

Article Abstract:

Density functional theory (DFT) is used to investigate the influence of rotational and geometrical isomerism on the nonlinear optical (NLO) properties, specifically the first-order hyperpolarizability [beta], of chromophores of current interest. The study of various types of isomerization has shown that the influence of electronic structure on the development of a large hyperpolarizability consists of many competing factors, making electronic structure calculations very valuable when designing the next generation of chromophores.

Analysis, Usage, Optical properties, Isomerization, Density functionals, Density functional theory, Nonlinear optics, Chemical properties, Chromophores

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Proton ENDOR studies of soliton wave functions and dynamics in polyacetylenes

Article Abstract:

Electron nuclear double resonance (ENDOR) studies were carried out over a range of temperatures for five different preparations of polyacetylenes (PAs). The analysis of the temperature dependence of ENDOR spectra is complicated by the relatively high concentration of paramagnetic solutions, which may facilitate exchange narrowing of ENDOR spectra.

Spectra, Chemistry, Analytic, Analytical chemistry, Polyacetylene, Polyacetylenes

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