The effects of temperature on the relative stabilities of five complexes of 4-hydroxypyridine and water

Zdeněk Slanina, Andrzej Leś, Ludwik Adamowicz

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2 Scopus citations

Abstract

The relative stabilities of five isomeric complexes of 4-hydroxypyridine with water have been computed. Description of the isomers is based on ab initio SCF calculation, with energetics corrected by the second-order perturbation treatment. The relative stabilities are evaluated in terms of partition functions constructed from the calculated dimeric parameters. A possibility of relative stability interchange is pointed out in the higher temperature region. However, the overall heat capacity of the system can be enhanced by the isomeric interplay by 7%, at most.

Original languageEnglish (US)
Pages (from-to)13-18
Number of pages6
JournalThermochimica Acta
Volume224
Issue numberC
DOIs
StatePublished - Sep 16 1993

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ASJC Scopus subject areas

  • Instrumentation
  • Condensed Matter Physics
  • Physical and Theoretical Chemistry

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