The enthalpy of sublimation of cubane

被引:40
|
作者
Bashir-Hashemi, A
Chickos, JS [1 ]
Hanshaw, W
Zhao, H
Farivar, BS
Liebman, JF
机构
[1] Univ Missouri, Dept Chem & Biochem, St Louis, MO 63121 USA
[2] ERC Inc, AFRL PRS, Edwards AFB, CA 93524 USA
[3] Univ Maryland, Dept Chem & Biochem, Baltimore, MD 21250 USA
关键词
cubane; hydrocarbons; vaporization; sublimation; phase change; enthalpy;
D O I
10.1016/j.tca.2004.05.022
中图分类号
O414.1 [热力学];
学科分类号
摘要
The sublimation enthalpy of cubane, a key reference material for force field and quantum mechanical computations, was measured by combining the vaporization enthalpy at T = 298.15 K to the sum of the fusion enthalpy measured at T = 405 K and a solid-solid phase transition that occurs at T = 394 K. The fusion and solid-solid phase transitions were measured previously. A sublimation enthalpy value of (55.2 +/- 2.0) kJ mol(-1) at T = 298.15 K was obtained. This value compares quite favorably the value obtained by comparing the sublimation enthalpy of similar substances as a function of their molar masses but is at odds with earlier measurements. (C) 2004 Elsevier B.V. All rights reserved.
引用
收藏
页码:91 / 97
页数:7
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