Yg. Bushuev et al., The influence of universal and specific interactions on structural properties of liquid formamide, RUSS CHEM B, 48(12), 1999, pp. 2200-2210
Monte Carlo simulation of the structure of liquid formamide at 298 K was ca
rried out. Intermolecular interactions were calculated using, five differen
t potentials. No essential changes in the spatial structure and topological
properties of the network of hydrogen bonds of liquid formamide occur upon
varying the electrostatic intermolecular interactions, strength of H-bonds
, and temperature. Fragments of crystal structure are partly retained in li
quid formamide. It was found that the network of H-bonds is structurally in
homogeneous and contains long-lived associates of closed cycles of H-bonds
as well as tree-like and chain-like structures. The energy, topological, an
d statistical characteristics of closed cycles of H-bonds were determined.