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Low-frequency vibrational spectra of cytosine monohydrate single crystals

Raman scattering measurements were performed on oriented single crystals of cytosine monohydrate (CMH) at frequencies below 400 cm/sup -1/. Three previously unreported bands were observed and assigned to translational modes of water molecules. Normal coordinate calculations have been carried out in the rigid-body approximation. Van der Waals and hydrogen bond interactions were taken into account in the atom-atom model potential. The influence of the water-mediated hydrogen-bond network on the lattice dynamics of the CMH crystal is discussed. The implications of this calculation concerning DNA dynamics are pointed out.

low-frequency vibrational spectra ; cytosine monohydrate

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