The heat capacities and thermodynamic functions of some derivatives of ferrocene

被引：24

作者：

Krol, Olesya V. ^{[1
]}

Druzhinina, Anna I. ^{[1
]}

Varushchenko, Raisa M. ^{[1
]}

Dorofeeva, Olga V. ^{[1
]}

Reshetova, Marina D. ^{[1
]}

Borisova, Nataliya E. ^{[1
]}

机构：

[1] Moscow MV Lomonosov State Univ, Dept Chem, Moscow 119992, Russia

来源：

JOURNAL OF CHEMICAL THERMODYNAMICS | 2008年 / 40卷 / 04期

基金：

俄罗斯基础研究基金会;

关键词：

ferrocene derivatives; adiabatic calorimetry; heat capacity; vapour pressure; thermodynamic functions; difference and DFT calculation methods;

D O I：

10.1016/j.jct.2007.12.003

中图分类号：

O414.1 [热力学];

学科分类号：

摘要：

The heat capacities of benzoylferrocene (BOF), C5H5FeC5H4COC6H5, and benzylferrocene (BF), C5H5FeC5H4CH2C6H5, have been measured by the low-temperature adiabatic calorimetry in the temperature range from 6 K to 372 K. The purity benzylferrocene and thermodynamic properties - the triple point temperature and the enthalpy of fusion have been obtained. The ideal gas thermodynamic functions (changes of the entropy, enthalpy, and Gibbs free energy) of BOF and BF were derived at T = 298.15 K using the heat capacities and previously determined data on the saturation vapours pressures and the enthalpies of sublimation. The ideal gas enthalpy of formation and absolute entropy of BOF at T = 298.15 K have been obtained from quantum chemical calculations, where as the thermodynamic properties of BF have been estimated by empirical method of group equations. A good agreement between experimental and theoretical values provides ail additional check of the reliability of the experimental data. (C) 2007 Elsevier Ltd. All rights reserved.

引用

页码：549 / 557

页数：9

共 28 条

[1]

ALEKSANDROV YI, 1976, FISIKOMEHANICHES KIE

[2]

[Anonymous], 1975, TOCHNAYA KRIOMETRIYA

[3] CO-OXIDATION OF FERROCENE AND HYDRAZINE DERIVATIVES . FORMATION OF SUBSTITUTED FERROCENES [J].

BECKWITH, AL ;

LEYDON, RJ .

AUSTRALIAN JOURNAL OF CHEMISTRY, 1966, 19 (08) :1381-&

[4]

BECKWITH ALJ, 1963, TETRAHEDRON LETT, V27, P358

[5]

Chao J., 1973, Journal of Physical and Chemical Reference Data, V2, P427, DOI 10.1063/1.3253123

[6] Enthalpies of vaporization of organic and organometallic compounds, 1880-2002 [J].

Chickos, JS ;

Acree, WE .

JOURNAL OF PHYSICAL AND CHEMICAL REFERENCE DATA, 2003, 32 (02) :519-878

[7]

DOMRACHEVA LG, 1996, IZV AN SER KHIM, V9, P1668

[8]

[Дорофеева О.В. Dorofeeva O.V.], 2006, [Журнал физической химии, Russian Journal of Physical Chemistry, Zhurnal fizicheskoi khimii], V80, P1955

[9] THE METHYLBENZENES .2. FUNDAMENTAL VIBRATIONAL SHIFTS, STATISTICAL THERMODYNAMIC FUNCTIONS, AND PROPERTIES OF FORMATION [J].

DRAEGER, JA .

JOURNAL OF CHEMICAL THERMODYNAMICS, 1985, 17 (03) :263-275

[10] Vapour pressures and enthalpies of vaporization of a series of the ferrocene derivatives [J].

Emel'yanenko, Vladimir N. ;

Verevkin, Sergey P. ;

Krol, Olesya V. ;

Varushchenko, Raisa M. ;

Chelovskaya, Nelly V. .

JOURNAL OF CHEMICAL THERMODYNAMICS, 2007, 39 (04) :594-601

← 1 2 3 →