Experimental and Theoretical Thermochemical Study of Nitrobenzaldehyde Isomers
Por:
Ximello A., Ramos F., Rojas A., Hernández-Pérez J.M., Camarillo E.A., Solano-Altamirano J.M., Sandoval-Lira J., Flores H.
Publicada:
1 ene 2020
Resumen:
Using different calorimetric techniques, the thermophysical and thermochemical properties of 2-, 3-, and 4-nitrobenzaldehyde were determined, including combustion energies, sublimation enthalpies, heat capacities, vaporization enthalpies, and enthalpies of formation in the gas phase. The latter were also calculated by means of the Gaussian G4 composite method and atomization reactions. Equations of heat capacity as functions of temperature, in the condensed phase, were measured experimentally, whereas the equations for heat capacities in the gas phase were calculated via computational techniques. By means of an isoperibolic combustion calorimeter, combustion energies were also determined. Sublimation enthalpies were obtained through thermogravimetry, by measuring the rate of mass loss as a function of temperature and applying the Langmuir equation. Fusion temperatures, fusion enthalpies, and heat capacities were determined using differential scanning calorimetry. The energetic influence of the nitro group on the aromatic ring is discussed briefly, and the presence of hydrogen bonding in 2-nitrobenzaldehyde is theoretically supported. © 2020 American Chemical Society.
Filiaciones:
Ximello A.:
Agricultura Sustentable y Protegida, Universidad Tecnológica de Tehuacán, Prolongación de la 1 sur 1101, San Pablo Tepetzingo, Tehuacán, Puebla, 75859, Mexico
Ramos F.:
Facultad de Ciencias Qulmicas, Benemérita Universidad Autónoma de Puebla, 14 sur y Av. San Claudio, Puebla, C.P. 72570, Mexico
Rojas A.:
Departamento de Qulmica, Centro de Investigación y de Estudios Avanzados Del IPN, Av. Instituto Politécnico Nacional 2508, México D.F., C.P. 07360, Mexico
Hernández-Pérez J.M.:
Facultad de Ciencias Qulmicas, Benemérita Universidad Autónoma de Puebla, 14 sur y Av. San Claudio, Puebla, C.P. 72570, Mexico
Camarillo E.A.:
Facultad de Ciencias Qulmicas, Benemérita Universidad Autónoma de Puebla, 14 sur y Av. San Claudio, Puebla, C.P. 72570, Mexico
Solano-Altamirano J.M.:
Facultad de Ciencias Qulmicas, Benemérita Universidad Autónoma de Puebla, 14 sur y Av. San Claudio, Puebla, C.P. 72570, Mexico
Sandoval-Lira J.:
Departamento de Ingenierla Ambiental, Instituto Tecnológico Superior de San Martln Texmelucan, Camino a la Barranca de Pesos, San Martln Texmelucan, Puebla, C.P. 74120, Mexico
Flores H.:
Facultad de Ciencias Qulmicas, Benemérita Universidad Autónoma de Puebla, 14 sur y Av. San Claudio, Puebla, C.P. 72570, Mexico
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