Thermochemistry of organometallic compounds: Structure-property relationships in alkylferrocenes Full article
Journal |
Chemical Physics Letters
ISSN: 0009-2614 , E-ISSN: 1873-4448 |
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Output data | Year: 2020, Volume: 739, Article number : 136911, Pages count : 10 DOI: 10.1016/j.cplett.2019.136911 | ||||||
Tags | Ferrocene derivatives Vapor pressure Enthalpy of vaporization Enthalpy of formation Quantum-chemical calculations | ||||||
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Abstract:
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 alkylsubstituted 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.
Cite:
Verevkin S.P.
, Emel’yanenko V.N.
, Zherikova K.V.
, Zelenina L.N.
, Zaitsau D.H.
, Pimerzin A.A.
Thermochemistry of organometallic compounds: Structure-property relationships in alkylferrocenes
Chemical Physics Letters. 2020. V.739. 136911 :1-10. DOI: 10.1016/j.cplett.2019.136911 WOS OpenAlex
Thermochemistry of organometallic compounds: Structure-property relationships in alkylferrocenes
Chemical Physics Letters. 2020. V.739. 136911 :1-10. DOI: 10.1016/j.cplett.2019.136911 WOS OpenAlex
Dates:
Submitted: | Oct 6, 2019 |
Accepted: | Oct 29, 2019 |
Published online: | Oct 31, 2019 |
Identifiers:
Web of science: | WOS:000507233300102 |
OpenAlex: | W2985058963 |
Citing:
DB | Citing |
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OpenAlex | 9 |