Article ID Journal Published Year Pages File Type
1408529 Journal of Molecular Structure 2006 11 Pages PDF
Abstract
We apply the algebraic (vibron) model to very long molecular chains, starting from n-alkanes molecules up to polyethylene. The infrared spectrum of CH stretches is computed in an algebraic basis and we obtain analytical formulas for both energy values and intensities of vibrational modes in the ν=2 overtone. We provide a simple, yet confident explanation of the main features of the IR spectrum of the polyethylene molecule in this energy range.
Related Topics
Physical Sciences and Engineering Chemistry Organic Chemistry
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