Thermochemistry of uracil and thymine revisited

被引:14
|
作者
Emel'yanenko, Vladimir N. [1 ]
Verevkin, Sergey P. [1 ,2 ,3 ]
Notario, Rafael [4 ]
机构
[1] Kazan Fed Univ, Dept Phys Chem, Kazan 420008, Russia
[2] Univ Rostock, Dept Phys Chem, D-18059 Rostock, Germany
[3] Univ Rostock, Dept Sci & Technol Life Light & Matter, D-18059 Rostock, Germany
[4] CSIC, Inst Quim Fis Rocasolano, E-28006 Madrid, Spain
来源
关键词
Uracil; Thymine; Thermochemistry; Enthalpy of formation; Enthalpy of sublimation; Vapour pressure; Quantum chemical calculation; VAPOR-PRESSURE MEASUREMENTS; SUBLIMATION ENTHALPIES; NUCLEIC-ACIDS; HALOGENATED DERIVATIVES; MOLAR ENTHALPIES; NITROGEN BASES; VAPORIZATION; CALORIMETRY; CYTOSINE;
D O I
10.1016/j.jct.2015.03.015
中图分类号
O414.1 [热力学];
学科分类号
摘要
Thermochemical properties of uracil and thymine have been evaluated using additional experiments. Standard (p(0) = 0.1 MPa) molar enthalpies of formation in the gas phase at T = 298.15 K for uracil -(298.1 +/- 0.6) and for thymine -(337.6 +/- 0.9) kJ.mol(-1) have been derived from energies of combustion measured by static bomb combustion calorimetry and molar enthalpies of sublimation determined using the transpiration method. The G3 and G4 quantum-chemical methods were used for calculations of theoretical gaseous enthalpies of formation being in very good agreement with the re-measured experimental values. (C) 2015 Published by Elsevier Ltd.
引用
收藏
页码:129 / 135
页数:7
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