ISSN:
1600-5724
Source:
Crystallography Journals Online : IUCR Backfile Archive 1948-2001
Topics:
Chemistry and Pharmacology
,
Geosciences
,
Physics
Notes:
Three semiempirical atom-atom potential functions suggested by different authors to describe non-bonded Cl...Cl interactions are examined via calculation of some thermodynamic properties of hexachloro- benzene, C6Cl6, and p-dichlorobenzene, C6H4Cl2, crystals. All thermodynamic quantities are evaluated with the cell model as a statistical mechanical basis. The calculation results provide some evidence to support the existence of positional disorder in the high-temperature phases of p-dichlorobenzene.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1107/S0567739481001940
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