Infrared optical constants, dielectric constants, molar polarizabilities, transition moments, dipole moment derivatives and Raman spectrum of liquid cyclohexane
| Autor: | Janet E. Pickup, C. Dale Keefe |
|---|---|
| Rok vydání: | 2009 |
| Předmět: |
Optics and Photonics
Spectrophotometry Infrared Cyclohexane Infrared Chemistry Analytical chemistry Infrared spectroscopy Dielectric Spectrum Analysis Raman Molecular physics Atomic and Molecular Physics and Optics Analytical Chemistry Solutions Dipole chemistry.chemical_compound symbols.namesake Cyclohexanes Polarizability Ab initio quantum chemistry methods symbols Physics::Chemical Physics Raman spectroscopy Instrumentation Astrophysics::Galaxy Astrophysics Spectroscopy |
| Zdroj: | Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy. 72:947-953 |
| ISSN: | 1386-1425 |
| DOI: | 10.1016/j.saa.2008.12.006 |
| Popis: | Previous studies have been done in this laboratory focusing on the optical properties of several liquid aromatic and aliphatic hydrocarbons in the infrared. The current study reports the infrared and absorption Raman spectra of liquid cyclohexane. Infrared spectra were recorded at 25 degrees C over a wavenumber range of 7400-490 cm(-1). Infrared measurements were taken using transmission cells with pathlengths ranging from 3 to 5000 microm. Raman spectra were recorded between 3700 and 100 cm(-1) at 25 degrees C using a 180 degrees reflection geometry. Ab initio calculations of the vibrational wavenumbers at the B3LYP/6311G level of theory were performed and used to help assign the observed IR and Raman spectra. Extensive assignments of the fundamentals and binary combinations observed in the infrared imaginary molar polarizability spectrum are reported. The imaginary molar polarizability spectrum was curve fitted to separate the intensity from the various transitions and used to determine the transition moments and magnitudes of the derivatives of the dipole moment with respect to the normal coordinates for the fundamentals. |
| Databáze: | OpenAIRE |
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