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A quantitative anharmonic analysis of the amide A band in α‐helical poly(L‐alanine)
Authors:Sang‐Ho Lee  Noemi G. Mirkin  Samuel Krimm
Abstract:Polarized ir spectra of oriented films of α‐helical poly(l ‐alanine) (α‐PLA) have been obtained as a function of residual solvent dichloroacetic acid (DCA). The amide A, B, II, and V regions exhibit multiple bands whose structure depends on the residual DCA content, and those associated with the αI‐PLA structure have been identified. A calculation of the relevant cubic anharmonic force constants indicates that, contrary to previous assignments, the overtone of amide II(A) is in Fermi resonance with the NH stretch fundamental, whose unperturbed frequency we now find to be at 3314 cm−1, significantly higher than the previously suggested 3279 cm−1. The presence of a structure in addition to the standard αI‐PLA is indicated by our analysis. © 1999 John Wiley & Sons, Inc. Biopoly 49: 195–207, 1999
Keywords:amide A  α  ‐helical poly(l‐alanine)  anharmonic analysis  fermi resonance
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