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首页> 外文期刊>Spectrochimica acta, Part A. Molecular and biomolecular spectroscopy >Vibrational characterization of the peptide bond
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Vibrational characterization of the peptide bond

机译：肽键的振动表征

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This article describes the complete vibrational analysis of N,N'-dimethyloxamide, CH3HNCOCONHCH3, on basis of the infrared and Raman spectra of four isotopes (H, D, CH3, CD3). Force field calculations on the monomers and multimers (n = 5) combined with solid state spectra in the - 196 to + 100 degreesC temperature range have been used to obtain a better understanding of the influence of hydrogen bonding on the typical amide fundamentals. The cooperative effect in de series monomer --> multimers --> solid state at decreasing temperatures has been demonstrated. Nine typical so-called 'amide bands' have been further characterized and special attention has been given to the Amide IV mode. The influence of the CH and CD vibrations on the amide fundamentals, has been studied by comparison with the calculated and experimental fundamentals and P.E.D. values of the CH3 and CD3 isotopes. The most important amide bands have further been assigned in X-CONHCH3 Molecules where X = methyl, amide, thioamide, ester, salt, cyanide and acid functional groups. (C) 2002 Elsevier Science B.V. All rights reserved. [References: 26]
机译：本文根据四种同位素（H，D，CH3，CD3）的红外和拉曼光谱描述了N，N'-二甲基乙酰胺，CH3HNCOCONHCH3的完整振动分析。单体和多聚体（n = 5）的力场计算与-196至+ 100℃温度范围内的固态光谱相结合，已被用来更好地理解氢键对典型酰胺基础的影响。已经证明了在降低温度下，de系列单体->多聚体->固态的协同作用。九种典型的所谓“酰胺带”已得到进一步表征，并特别注意了酰胺IV模式。通过与计算的和实验的基本原理以及P.E.D.进行比较，研究了CH和CD振动对酰胺基本原理的影响。 CH3和CD3同位素的值X-CONHCH3分子中进一步指定了最重要的酰胺带，其中X =甲基，酰胺，硫代酰胺，酯，盐，氰化物和酸官能团。 （C）2002 Elsevier Science B.V.保留所有权利。 [参考：26]

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