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Experimental and computational study of the thermodynamic properties of 2-nitrofluorene and 2-aminofluorene

Authors
  • Oliveira, Juliana A.S.A.
  • Monte, Manuel J.S.
  • Notario, R.
  • Ribeiro da Silva, Maria D.M.C.1, 2, 3, 4, 5, 6
  • 1 Centro de Investigação em Química
  • 2 Department of Chemistry and Biochemistry
  • 3 Faculty of Science
  • 4 University of Porto
  • 5 Instituto de Química Física “Rocasolano”
  • 6 CSIC
Type
Published Article
Journal
The Journal of Chemical Thermodynamics
Publication Date
Jan 01, 2014
Accepted Date
Mar 05, 2014
Identifiers
DOI: 10.1016/j.jct.2014.03.005
Source
Elsevier
Keywords
License
Unknown

Abstract

This report presents a comprehensive experimental and computational study of the thermodynamic properties of two fluorene derivatives: 2-aminofluorene and 2-nitrofluorene. The standard (p°=0.1MPa) molar enthalpies of formation in the crystalline phase of these compounds were derived from the standard molar energies of combustion, in oxygen, at T=298.15K, measured by static bomb combustion calorimetry. A Knudsen effusion method was used to perform the vapour pressure study of the referred compounds, yielding an accurate determination of the standard molar enthalpies and entropies of sublimation. The enthalpies of sublimation were also determined using Calvet microcalorimetry and the enthalpy and temperature of fusion were derived from DSC experiments. Derived results of standard enthalpy and Gibbs energy of formation in both gaseous and crystalline phases were compared with the ones reported in literature for fluorene. A theoretical study at the G3 and G4 levels has been carried out, and the calculated enthalpies of formation have been compared to the experimental values.

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