Abstract—Molecular dynamics was used to study absorption of carbon monoxide molecules by water clusters combined into two groups (2–10 and 11–20 water molecules) on the basis of their statistical weights. Spectral characteristics of the clusters in the frequency range 0 ? ? ? 1000 cm–1 were established. Within this range, the integral IR adsorption intensity of both systems increases with addition of CO molecules. The IR emission power increases significantly after a cluster has absorbed one CO molecule but decreases with the absorption of a further CO molecule. A similar situation is observed with the number of electrons “active” toward external electromagnetic radiation. As the smallest clusters containing two CO molecules grow by adding water molecules, the IR emission power decreases. In other cases, these changes are of a periodical character.
