A5076365016- Chemical Thermodynamics and Molecular Structure
- Thermal and Kinetic Analysis
- Free Radicals and Antioxidants
- thermodynamics and calorimetric analyses
- Crystallization and Solubility Studies
- X-ray Diffraction in Crystallography
- Analytical Chemistry and Chromatography
- Thermodynamic properties of mixtures
- Adsorption, diffusion, and thermodynamic properties of materials
- Phase Equilibria and Thermodynamics
- Energetic Materials and Combustion
- Crystallography and molecular interactions
- Structural and Chemical Analysis of Organic and Inorganic Compounds
- CO2 Reduction Techniques and Catalysts
- Carbon dioxide utilization in catalysis
- Various Chemistry Research Topics
- Inorganic Fluorides and Related Compounds
- Fuel Cells and Related Materials
- Metal-Organic Frameworks: Synthesis and Applications
- Porphyrin and Phthalocyanine Chemistry
- Chemical Synthesis and Reactions
- Synthesis and Characterization of Pyrroles
- Chemical and Physical Properties in Aqueous Solutions
- Molecular spectroscopy and chirality
- Advanced Chemical Physics Studies
Benemérita Universidad Autónoma de Puebla
2015-2024
Instituto de Química Física Blas Cabrera
1999
Instituto Politécnico Nacional
1996-1999
Consejo Superior de Investigaciones Científicas
1999
Universidad de Alcalá
1999
University of Maryland, Baltimore County
1999
Center for Research and Advanced Studies of the National Polytechnic Institute
1996-1997
To understand the relative isomeric stabilities of 1,3- and 1,4-diheterocyclohexanes ultradiagonal strain energy thiirane, enthalpies formation sublimation 1,4-dithiane have been measured. The enthalpy for this compound in solid state is −69.6 ± 2.3 kJ mol-1, while gaseous state, value −6.9 2.4 mol. 63.0 0.6 mol-1. Ab initio molecular orbital calculations at G2(MP2) G3 levels were performed, calculated are compared with experimental data.
In order to understand the influence that position of nitro group on aromatic ring has relative stability two isomers, standard enthalpies formation 3- and 4-nitrophthalic anhydride in gaseous phase, at T = 298.15 K, were obtained by experimental thermochemistry theoretical studies. The crystalline combustion calorimetry sublimation Knudsen method. For calculations, a ab initio molecular orbital method G3 level was used. phase from atomization isodesmic reactions. A study electronic...
The sublimation enthalpies of some hydroxyflavones and one amineflavone were determined with a thermogravimetric device under isothermal conditions. These obtained by measuring the rate mass loss as function temperature. In this methodology, Clausius–Clapeyron Langmuir equations used. diffusional effect gas phase was included in equation. order to test validate experimental enthalpy three standard materials, anthracene, pyrene, benzoic acid, determined. values are agreement data reported...
The intramolecular hydrogen bond of the N-H···S type has been investigated sparingly by thermochemical and computational methods. In order to study this interaction, standard molar enthalpies formation in gaseous phase diphenyl disulfide, 2,2'-diaminodiphenyl disulfide 4,4'-diaminodiphenyl at T = 298.15 K were determined experimental methods calculations. gas-phase obtained from crystalline sublimation. Enthalpies using rotatory bomb combustion calorimetry. By thermogravimetry, vaporization...
In this work, we determine, both experimentally and computationally, structural thermochemical properties of the methyl 2- 4-methoxybenzoates. Combustion vaporization enthalpies these compounds were obtained through combustion calorimetry thermogravimetry. From properties, their standard molar formation in gas phase, at T = 298.15 K, also determined. addition, computed gas-phase 2-, 3-, 4-methoxybenzoates using composite method Gaussian G4, atomization reactions, a weighted Boltzmann...
The standard molar enthalpy of formation gaseous 1-adamantyl chloride (1Cl,g) was determined experimentally by means thermochemical techniques. Ab initio quantum-chemical calculations at the G2(MP2) level were performed on adamantyl cation (1+) and 1Cl. Combination these data with other experimental computational results for adamantane (1H), isobutane (2H), tert-butyl (2+), (2Cl) provided purely computational, independent values Gibbs energy changes reactions 1 2: where X = Cl. This...