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

Zdeněk Slanina, Andrzej Leś, Ludwik Adamowicz

Research output: Contribution to journalArticle

2 Citations (Scopus)

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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Water
water
Interchanges
Isomers
Temperature
Specific heat
temperature
self consistent fields
partitions
isomers
specific heat
perturbation
4-hydroxypyridine

ASJC Scopus subject areas

  • Chemistry (miscellaneous)
  • Physical and Theoretical Chemistry

Cite this

The effects of temperature on the relative stabilities of five complexes of 4-hydroxypyridine and water. / Slanina, Zdeněk; Leś, Andrzej; Adamowicz, Ludwik.

In: Thermochimica Acta, Vol. 224, No. C, 16.09.1993, p. 13-18.

Research output: Contribution to journalArticle

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