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Correlations between Raman frequency shifts and the thermodynamic quantities close to the melting point in D2O ice

The Raman frequency shifts (1/v) (partial derivative v/partial derivative T)(T) and (1/v) (partial derivative v/partial derivative P)(T) of the translational mode are correlated to the specific heat C-p and to the thermal expansivity alpha(p), respectively, in D2O ice. Close to the melting point, they correlate linearly, from which the values of the slope dP/dT have been deduced in D2O ice. Our calculated values of dP/dT are in very good agreement with the experimentally obtained value in this crystalline system.