Phase diagram and association constants of a molecular complex in the 1,3,5-trinitrobenzene–benzene binary system

Autor:	Ryszard Kłos, R. Radomski, Maria Radomska
Rok vydání:	1987
Předmět:	chemistry.chemical_classification chemistry.chemical_compound Differential scanning calorimetry Proton Chemistry Chemical shift Analytical chemistry Thermodynamics Binary system Liquidus Electron acceptor Benzene Phase diagram
Zdroj:	J. Chem. Soc., Perkin Trans. 2. :1563-1567
ISSN:	1364-5471 0300-9580
DOI:	10.1039/p29870001563
Popis:	The phase diagram of the binary system of the electron acceptor (A) 1,3,5-trinitrobenzene with the electron donor (D) benzene has been determined by differential scanning calorimetry. A termolecular, congruently melting complex AD2 was found. Association constants of the complex in the molten state have been obtained from the analysis of the liquidus line of the complex in terms of concurrence of complexing and non-complexing interactions. The proton chemical shifts of 1,3,5-trinitrobenzene and benzene have been measured as a function of the concentration over the whole composition range of the A–D binary system in the molten state. The data were analysed by a multiparametric curve-fitting method. Fitting was performed for simple AD and AD2 and double AD + AD2 equilibrium models, each with and without non-complexing interactions. No reasonable fit could be obtained for the ideal association models. The inclusion of non-complexing interactions allowed the data to be fitted by either the simple AD or the double AD + AD2 equilibrium model. The results are compared with those obtained from analysis of the phase diagram data.
Databáze:	OpenAIRE
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