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首页> 外文期刊>Thermochimica Acta: An International Journal Concerned with the Broader Aspects of Thermochemistry and Its Applications to Chemical Problems >Thermochemistry of hydride and phenyl groups on the surface of amorphous silicon dioxide
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Thermochemistry of hydride and phenyl groups on the surface of amorphous silicon dioxide

机译：非晶态二氧化硅表面上的氢化物和苯基的热化学

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The thermodynamic properties of hydride and phenyl groups on the surface of amorphous silicon dioxide are investigated in the presented work. The characteristics of the surface silane centers (equivalent toSi-H) are determined from the data obtained by infrared spectroscopy and caloric measurements. The conversions of hydrogen and benzene with the surface are described by thermodynamic calculations at reactions take place in the gaseous phase. To model the reaction between hydrogen and the surface the thermodynamic data for (OH)(4-n)Si-n (n = 0-4) in the gaseous phase are used. The surface groups and the model molecules are comparable because the thermodynamic characteristics depend only from the local environment. The thermodynamic properties of (OH)(3)Si-C6H5 in the gaseous phase are determined to describe the reaction between benzene and the surface. The predications of these calculations are confirmed by the spectroscopic results. The properties of the surface phenyl groups (equivalent toSi-C6H5) are concluded from these data. (C) 2003 Elsevier Science B.V. All rights reserved. [References: 22]
机译：在本研究中，研究了非晶态二氧化硅表面上氢化物和苯基的热力学性质。表面硅烷中心的特征（相当于Si-H）由红外光谱和热量测量获得的数据确定。氢和苯与表面的转化率是通过在气相中发生反应时的热力学计算来描述的。为了模拟氢与表面之间的反应，使用了气相中（OH）（4-n）Si-n（n = 0-4）的热力学数据。由于热力学特性仅取决于局部环境，因此表面基团和模型分子具有可比性。确定气相（OH）（3）Si-C6H5在气相中的热力学性质，以描述苯与表面之间的反应。这些计算的预测由光谱结果证实。由这些数据得出表面苯基基团的性质（相当于Si-C6H5）。 （C）2003 Elsevier Science B.V.保留所有权利。 [参考：22]

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