The vibrational spectra and conformations of some peptide compounds: An application of the additive interatomic interaction model

✍ Scribed by M. I. Dakhis; V. G. Dashevsky; A. I. Kitaigorodsky

• Publisher: Wiley (John Wiley & Sons)
• Year: 1973
• Tongue: English
• Weight: 768 KB
• Volume: 12
• Category: Article
• ISSN: 0006-3525
• DOI: 10.1002/bip.1973.360120806

✦ Synopsis

Abstract

The vibrational spectra of N‐methylformamide, N‐methylacetamide, and acetylglycine N‐methylamide were calculated by use of the additive model of interatomic interactions. The rotation angles ϕ,ψ for acetylglycine N‐methylamide in the crystalline form were determined by the calculation of the spectra of the compound in various conformations. In the A form these angles are equal to 120° and 180°, respectively, and in the B form to 90° and 0°, respectively. The sensitivity of the proposed method to conformational changes, the choice of parameters, and the scope of the method's application are discussed.