Effects of hydrophobic solute on water normal modes

In this work, we examine the effects of methane, on normal modes water. We find methane has a weaker influence water modes. estimate vibrational density states and infrared spectral density. decompose these based different characters. observe general decrease in intensity throughout stretch region methane-water system compared to bulk data. This lower reflects reduction number average molecules system. The stretch-bend decomposition pronounced coupling between asymmetric mode symmetric mode. data terms symmetry central molecule’s vibrations that do not contribute. also having non-zero contributions from molecule are extremely localized nature.