Original scientific paper

Thermodynamic Data Bases and Optical Isomerism

Zdeněk Slanina ; Laboratories of Computational Chemistry & Fullerene Science, Department of Knowledge-Based Information Engineering, Toyohashi University of Technology, Toyohashi 441-8580, Japan
Filip Uhlík ; Department of Physical and Macromolecular Chemistry, School of Science, Charles University, Alhertov 6, CZ-128 43 Prague, Czech Republic
Jean-Pierre François ; Limburgs Universitair Centrum, Departement SBG, Universitaire Campus, B-3590 Diepenbeek, Belgium
Eiji Ösawa ; Laboratories of Computational Chemistry & Fullerene Science, Department of Knowledge-Based Information Engineering, Toyohashi University of Technology, Toyohashi 441-8580, Japan

Abstract

The article points out that the common sources of thermodynamic data do not respect optical isomerism though the substantial feature is not recognized. This fact implies widespread imprecisions involved in applications of the sources. The point is illustrated on difluorodisulfane. It is also pointed out that the chirality partition function plays a substantial role in the relative stabilities of fullerene isomers.

Keywords

optical isomerism; chirality partition function; thermodynamic data bases; fullerenes; calculations of thermodynamic functions

Hrčak ID:

131987

URI

https://hrcak.srce.hr/131987

Publication date:

4.12.2000.

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