Numerical simulation of the infrared spectra of thin organic films



Título del documento: Numerical simulation of the infrared spectra of thin organic films
Revista: Brazilian journal of physics
Base de datos: PERIÓDICA
Número de sistema: 000146949
ISSN: 0103-9733
Autores: 1
Instituciones: 1Universidade Federal de Pernambuco, Departamento de Física, Recife, Pernambuco. Brasil
Año:
Periodo: Dic
Volumen: 28
Número: 4
Paginación: 380-391
País: Brasil
Idioma: Inglés
Tipo de documento: Artículo
Enfoque: Analítico
Resumen en inglés We present results of numerical simulations of the infrared spectra of thin films of behenic acid (b.a.) in different spectroscopic configurations. A model of independent oscillators was used to derive the optical constants of the material in the infrared region and, from these, the reflectance expressions corresponding to several experimental situations. In this manner, the theoretical attenuated total reflection spectra could be fitted to the experimental result through a steepest-descent routine, and the spectroscopic parameters so optmized were used in the numerical computation of the behavior of the optical constants and of the different spectra of interest. We present results for both Langmuir-Blodgett thin films and thicker evaporated samples of b.a. deposited on ZnSe crystals. In the former case, we also analyze the best suited experimental configuration for the thickness estimate of the films. We have shown that the preliminary use of numerical simulation techniques can simplify the investigation of the spectroscopic properties of thin organic films by allowing the operating limits and capabilities of each experiment to be estimated. Since fatty acid multilayers are the prototypal organized molecular structures, we expect that these techniques become specially important in the spectroscopic investigation of molecular order in thin organic films
Disciplinas: Física y astronomía
Palabras clave: Física de materia condensada,
Películas orgánicas,
Espectroscopía,
IR,
Simulación,
Propiedades ópticas,
Langmuir-Blodgett
Keyword: Physics and astronomy,
Condensed matter physics,
Organic films,
Spectroscopy,
IR,
Simulation,
Optical properties,
Langmuir-Blodgett
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