Vibrational characterization of the peptide bond

摘要: This article describes the complete vibrational analysis of N,N'-dimethyloxamide, CH3HNCOCONHCH3, on basis infrared and Raman spectra four isotopes (H, D, CH3, CD3). Force field calculations monomers multimers (n = 5) combined with solid state in -196 to +100 degrees C temperature range have been used obtain a better understanding influence hydrogen bonding typical amide fundamentals. The cooperative effect de series monomer --> at decreasing temperatures has demonstrated. Nine so-called 'amide bands' further characterized special attention given Amide IV mode. CH CD vibrations fundamentals, studied by comparison calculated experimental fundamentals P.E.D. values CH3 CD3 isotopes. most important bands assigned X-CONHCH3 molecules where X methyl, amide, thioamide, ester, salt, cyanide acid functional groups.