Hydrogen bonding in liquid methanol at ambient conditions and at high pressure

Citation
T. Weitkamp et al., Hydrogen bonding in liquid methanol at ambient conditions and at high pressure, MOLEC PHYS, 98(3), 2000, pp. 125-134
Citations number
38
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
MOLECULAR PHYSICS
ISSN journal
00268976 → ACNP
Volume
98
Issue
3
Year of publication
2000
Pages
125 - 134
Database
ISI
SICI code
0026-8976(20000210)98:3<125:HBILMA>2.0.ZU;2-2
Abstract
Neutron and hard X-ray diffraction measurements on liquid methanol at room temperature are presented at pressures ranging from 1 bar to 9 kbar. Under ambient conditions a complete partial structure factor analysis has been pe rformed. The partial structures are not all in agreement with simulation re sults. Notably, the data show no sign of a sharp feature in the H-O(O/C) pa rtial, implying that the hydrogen between the hydrogen bonded oxygen is les s localized than predicted by the standard simulation potentials. The data have been analysed using a continuous random network approach common in the analysis of the structure of tetrahedral network glasses. The pressure-ind uced change in the scattering intensity is restricted to the momentum trans fer range (0 < Q < 2.5 Angstrom(-1)), i.e., there is no discernible change in sharp real-space structures. Up to 9 kbar the change in scattering inten sity scales to a good approximation with the density.