Thermochemistry of organometallic compounds: Structure-property relationships in alkylferrocenes
| Autor: | Andrey A. Pimerzin, Kseniya V. Zherikova, Vladimir N. Emel’yanenko, Dzmitry H. Zaitsau, Ludmila N. Zelenina, Sergey P. Verevkin |
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| Rok vydání: | 2020 |
| Předmět: |
Materials science
Vapor pressure Ethylferrocene Enthalpy General Physics and Astronomy Thermodynamics 02 engineering and technology Enthalpy of vaporization 010402 general chemistry 021001 nanoscience & nanotechnology 01 natural sciences Standard enthalpy of formation 0104 chemical sciences chemistry.chemical_compound chemistry Vaporization Thermochemistry Physical and Theoretical Chemistry 0210 nano-technology Group 2 organometallic chemistry |
| Zdroj: | Chemical Physics Letters. 739:136911 |
| ISSN: | 0009-2614 |
| DOI: | 10.1016/j.cplett.2019.136911 |
| Popis: | The standard molar enthalpies of vaporization of ethylferrocene n-butylferrocene, and 1,1‘-dimethylferrocene have been determined from the temperature dependence of vapor pressures measured by the transpiration method. Vapor pressures and vaporization enthalpy of the n-butylferrocene were also measured by the static method. The internal consistency of thermodynamic data on vaporization and formation enthalpies of alkyl-substituted ferrocenes has been proved by using structure-property analysis and quantum-chemical calculations. The simple procedures were developed for calculation enthalpies of vaporization and enthalpies of formation of alkyl substituted ferrocenes based on the reliable data for alkylsubstituted benzenes. Parameters of these procedures are expected to be transferable for prediction of thermodynamic properties of organometallic compounds. |
| Databáze: | OpenAIRE |
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