Infrared and Raman spectra, conformational stability and vibrational assignment of 1-chloro-1-silacyclopentane

Advances in Molecular Structure and Interaction Studies Using Near-Infrared Spectroscopy

“…A number of studies on the relationship between the MIR absorption intensity and molecular structure as well as intramolecular charge distribution were carried out by Galabov et al − As a result of the development of quantum chemical calculations, one can satisfactorily reproduce the relation between molecular structure, frequencies, and absorption intensities of vibrational modes. − Molecular vibration analysis based on the harmonic oscillator model cannot reproduce experimental data with sufficient precision. The reason why quantum chemical calculations considering anharmonicity have not yet been explored intensively results from enormous amount of calculations required.…”