Naslov
Direct Measurement of Heat Effects for Solid-State Reactions by Isothermal Calorimetry

Autori
Cvetnić, Marija ; Šplajt, Robert ; Topić, Edi ; Bregović, Nikola

Vrsta, podvrsta i kategorija rada
Sažeci sa skupova, sažetak, znanstveni

Izvornik
V. simpozij supramolekulske kemije : knjiga sažetaka = Supramolecular Chemistry 2022 : Book of abstracts / Frkanec, Leo ; Namjesnik, Danijel ; Tomišić, Vladislav - Zagreb : Hrvatsko kemijsko društvo, 2022, 36-36

Skup
V. simpozij supramolekulske kemije = Supramolecular Chemistry 2022

Mjesto i datum
Zagreb, Hrvatska, 08.12.2023. - 08.12.2022

Vrsta sudjelovanja
Poster

Vrsta recenzije
Nije recenziran

Ključne riječi
solid-state reactions ; isothermal calorimetry ; reaction enthalpy

Sažetak
Chemical reactions in solid-state gained significant popularity in recent years1 due to their ability to expand the chemical space of organic synthesis, 2 which provides novel routes towards advanced materials for various applications.3 An important beneficial aspect of mechanochemistry is the fact that it requires environmentally acceptable conditions which includes the use of little or no organic solvent. Among the techniques for monitoring and characterization of solid-state reactions used so far (XRD methods, temperature and/or pressure monitoring, Raman, NMR and IR spectroscopy), 4 isothermal calorimetry (ITC) studies were scarcely applied, especially at ambient temperatures.5, 6 A lack of reaction enthalpy data for reactions in solid-state makes full thermodynamic characterization of these processes impossible without using thermodynamic cycles (requiring many different, long-lasting calorimetry experiments). Therefore, a crying need for direct detection of heat effect upon mixing of two or more solid reactants emerges in this reaserch area, the response to which, to the best of our knowledge, was not yet reported. In this work, a robust Calvet-type calorimeter (Setaram®), equipped with a cell originally designed for studies of dissolution processes, was used to directly measure the enthalpy of reactions between solid compounds at room temperature. Investigated reactions were complexation of KHSO4 with 18-crown-6 ether7 and proton transfer from salicylic acid to N, N-dimethylpyridin-4-amine combined with cocrystal formation. The reliability of the data was tested by comparing the directly obtained values of solid-state reaction enthalpies with the ones calculated using the appropriate thermodynamic cycles.

Izvorni jezik
Engleski

Znanstvena područja
Kemija

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