Adsorption of ammonia by water clusters. Computer experiment

The method of molecular dynamics is used to study the adsorption of from one to six ammonia molecules by water clusters composed of 50 molecules. The adsorption of NH₃ molecules markedly increases the IR absorption spectrum intensity, substantially decreases emission power in the frequency range of 0 ≤ ω ≤ 3500 cm^?1, and transforms a continuous reflectance spectrum into a banded one. A rough surface formed by adsorbed ammonia molecules reduces the absorption coefficient and refractive index of the system of water-ammonia clusters in the entire frequency range. Adsorption of ammonia molecules by water clusters greatly diminishes the number of electrons that are active with respect to electromagnetic radiation.