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Issue 17, 1997
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Thermochemical and theoretical studies of4-methylbiphenyl, 4,4′-dimethylbiphenyl,4,4′-dimethyl-2,2′-bipyridine

Abstract

The standard (p°=0.1 MPa) molar enthalpies of formation for 4-methylbiphenyl, 4,4′-dimethylbiphenyl and 4,4′-dimethyl-2,2′-bipyridine were derived from the standard molar enthalpies of combustion, in oxygen, at T=298.15 K, measured by static-bomb combustion calorimetry. The standard molar enthalpies of sublimation, at T=298.15 K, were measured by Calvet microcalorimetry. Theoretical calculations at the ab initio restricted Hartree–Fock (RHF) level with second-order Møller–Plesset (MP2) perturbation theory correlation corrections and density functional theory (DFT) have been carried out for all these molecules in order to access their stabilitites relative to the non-substituted ones. The theoretical results are in general good agreement with the experimental results.

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Article type: Paper
DOI: 10.1039/A701769C
J. Chem. Soc., Faraday Trans., 1997,93, 3061-3065

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    Thermochemical and theoretical studies of 4-methylbiphenyl, 4,4′-dimethylbiphenyl, 4,4′-dimethyl-2,2′-bipyridine

    M. A.V. Ribeiro da Silva, M. Agostinha R. Matos, C. M. A. do Rio and V. M. F. Morais, J. Chem. Soc., Faraday Trans., 1997, 93, 3061
    DOI: 10.1039/A701769C

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