Vibrational dynamics of polyurydilic acid |
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Authors: | Shinoo SrivastavaSeema Srivastava Shyam SinghVishwambhar Dayal Gupta Vijai Prakash Gupta |
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Institution: | Division of Physiology, Central Drug Research Institute, Lucknow 226 001, India |
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Abstract: | A study of the normal modes of vibration and their dispersion in polyurydilic acid (polyU) is reported using Wilson's GF Matrix method as modified by Higgs. This is done for the `bare' as well as for the helix `loaded' with uracil. Confusion that has prevailed regarding the assignments of the observed modes at 810 and 572 cm−1 is cleared and it is shown that the so called bare helix (polyU-U) has a different minimum energy state and hence spectrally different. Dispersion of the normal modes in the two helices shows marked differences which are characteristic of the extent of electrical/mechanical coupling along the chain and between the chain and the base. Values predicted for the heat capacity as a function of temperature for polyU is also reported. |
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Keywords: | Phonon dispersion Density-of-states Heat capacity Vibrational dynamics |
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