Thermochemistry of organometallic compounds: Structure-property relationships in alkylferrocenes

Thermochemistry of organometallic compounds: Structure-property relationships in alkylferrocenes Full article

Journal

Chemical Physics Letters
ISSN: 0009-2614 , E-ISSN: 1873-4448

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

Authors

Verevkin Sergey P. ^1,2 , Emel’yanenko Vladimir N. ² , Zherikova Kseniya V. ³ , Zelenina Ludmila N. ³ , Zaitsau Dzmitry H. ¹ , Pimerzin Andrey A. ²

Affiliations

1	Department of Physical Chemistry and Department of “Science and Technology of Life, Light and Matter“, University of Rostock, 18059 Rostock, Germany
2	Chemical Technological Department, Samara State Technical University, Samara 443100, Russia
3	Nikolaev Institute of Inorganic Chemistry of Siberian Branch of Russian Academy of Sciences, 630090 Novosibirsk, Russia

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.

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

Submitted:	Oct 6, 2019
Accepted:	Oct 29, 2019
Published online:	Oct 31, 2019

Web of science:	WOS:000507233300102
OpenAlex:	W2985058963

DB	Citing
OpenAlex	9