Phase change enthalpies of some monosubstituted derivatives of adamantane: an experimental and theoretical study

The phase change energetics of adamantane, 1-adamantanemethanol, 1-adamantanethanol, 1-adamantanecarboxylic acid, and 1-adamantaneacetic acid is reported. To conduct the study of the compounds’ phase changes, calorimetric techniques and theoretical methodologies were applied. Mole fraction purities,...

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Bibliographic Details
Published in:Structural chemistry 2023-02, Vol.34 (1), p.193-202
Main Authors: Santiago-Sosa, Omar, Camarillo, E. Adriana, García-Pineda, Sebastián, Solano-Altamirano, J. Manuel, Hernández-Pérez, Julio M., Flores, Henoc, Rodríguez-Santiago, Juan, Hernández-Esparza, Raymundo
Format: Article
Language:English
Subjects:
Analysis
Calorimetry
Chemistry
Chemistry and Materials Science
Computer Applications in Chemistry
Enthalpy
Harmonic oscillators
Heat measurement
Molecular interactions
Original Research
Phase change
Physical Chemistry
Solid phases
Specific heat
Sublimation
Theoretical and Computational Chemistry
Thermogravimetric analysis
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Summary:The phase change energetics of adamantane, 1-adamantanemethanol, 1-adamantanethanol, 1-adamantanecarboxylic acid, and 1-adamantaneacetic acid is reported. To conduct the study of the compounds’ phase changes, calorimetric techniques and theoretical methodologies were applied. Mole fraction purities, enthalpies, fusion temperatures, and solid phase heat capacities were obtained using differential scanning calorimetry. Enthalpies of sublimation were determined from measurements of mass loss rate and the Clausius-Clapeyron and Langmuir equations, i.e., through thermogravimetric analysis. The gas-phase heat capacities of all stable conformers of the adamantane derivatives at different temperatures were estimated using harmonic oscillator approximation. Finally, the molecular interactions of the adamantane derivatives are discussed.
ISSN:1040-0400
1572-9001
DOI:10.1007/s11224-022-02073-0