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An effective scaling frequency factor method for scaling of harmonic vibrational frequencies: Application to

Piotr Borowski1, Karol Pilorz, Monika Pitucha

  • 1Faculty of Chemistry, Maria Curie-Skłodowska University, pl. M. Curie-Skłodowskiej 3, 20-031 Lublin, Poland. pibcio@vsop404.umcs.lublin.pl

Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
|March 2, 2010
PubMed

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Identical bonds within a polyatomic group can stretch symmetrically (in-phase) or asymmetrically (out-of-phase). Similar to hydrogen bonding, these vibrations also influence the shape of the IR peak. Generally, asymmetric stretching frequencies are higher than symmetric stretching frequencies. For example, primary amines exhibit two distinct IR peaks between 3300–3500 cm−1 corresponding to the symmetric and asymmetric N-H stretching, while secondary amines exhibit a single stretching vibration...
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