No abstract

The analysis of x-ray diffraction data of liquid methanol at room temperature reveals a distinct possibility of the presence of hexamer molecular clusters due to intermolecular hydrogen bonding. On the assumption of hexamer domination in the structure, the center structure is derived, which in turn reproduces closely the available data on neutron diffraction and computer simulation for this system. The center-center correlations show special features of bonded structure.

The hexamer ring clusters for the average intermolecular structure of hydrogen-bonded alcohols, methanol, and ethanol at room temperature were proposed earlier. This average structure is shown to be true for liquid ieri-butyl alcohol also through the analysis of available diffraction data.

The participation of a nitrogen atom acting as an electrophile in pnicogen bonding, a hitherto unexplored interaction has been established by experimental charge density analysis. QTAIM and NBO analyses ratify this observation.

The analysis of x-ray diffraction data of liquid ethanol at room temperature shows the existence of hexamer molecular clusters due to intermolecular hydrogen bonding. Assuming hexamer domination in the intermolecular structure, the center structure is derived, which in turn reproduces closely the available data on neutron diffraction for this system.