Does the spatial confinement influence the electric properties and cooperative effects of the hydrogen bonded systems? HCN chains as a case study

In this Letter the impact of orbital compression on the energetic and electric properties as well as cooperative effects in the hydrogen bonded systems was investigated. The model (HCN)n chains, with n = 2–5, were chosen as a case study. The effect of spatial restriction was modeled by the harmonic oscillator potential. Moreover, changes in the structural parameters in the presence of model confining potential were also analyzed. All calculations were performed using the MP2 method. The obtained results demonstrated inter alia that the spatial confinement significantly influences the analyzed properties.