X-ray diffraction pattern and models of liquid benzene

Journal Article · Thu Sep 01 00:00:00 EDT 1977 · J. Chem. Phys.; (United States)

DOI:https://doi.org/10.1063/1.435096· OSTI ID:7097748

Narten, A H

X-ray diffraction data for liquid benzene at 25/sup 0/C are analyzed using scattering factors for C--H groups rather than for C and H atoms. This new approach permits the unique extraction of structure and correlation functions for carbon--carbon interactions from a single experiment. The data are used to find parameters for a model (RISM) of liquid benzene which permits calculation of all intermolecular atom pair correlation functions. The predominant arrangement in the liquid is one in which pairs of molecules fit together like six-toothed bevel gear wheels whose axes are almost at right angles.

• Research Organization: Chemistry Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37830
• OSTI ID: 7097748
• Journal Information: J. Chem. Phys.; (United States), Journal Name: J. Chem. Phys.; (United States) Vol. 67:5; ISSN JCPSA
• Country of Publication: United States
• Language: English

Related Subjects

640305* -- Atomic
Molecular & Chemical Physics-- Atomic & Molecular Theory-- (-1987)
74 ATOMIC AND MOLECULAR PHYSICS
AROMATICS
BENZENE
COHERENT SCATTERING
CORRELATION FUNCTIONS
DIFFRACTION
FLUIDS
FUNCTIONS
HYDROCARBONS
INTERATOMIC FORCES
LIQUIDS
MECHANICS
ORGANIC COMPOUNDS
SCATTERING
STATISTICAL MECHANICS
STRUCTURAL MODELS
X-RAY DIFFRACTION