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首页> 外文期刊>Journal of Thermal Analysis and Calorimetry >Energetic studies of two oxygen heterocyclic compounds Xanthone and tetrahydro-γ-pyrone
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Energetic studies of two oxygen heterocyclic compounds Xanthone and tetrahydro-γ-pyrone

机译:两种氧杂环化合物黄酮和四氢-γ-吡喃酮的能量研究

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摘要

The present work reports an experimental thermochemical study supported by state of the art calculations of two heterocyclic compounds containing oxygen in the ring: xanthone and tetrahydro-γ-pyrone. The standard (pº = 0.1 MPa) molar enthalpies of formation in the condensed phase, at T = 298.15 K, were derived from the measurements of the standard molar energies of combustion in oxygen atmosphere, using a static bomb calorimeter. The standard molar enthalpies of sublimation or vaporization, at T = 298.15 K, of the title compounds were obtained from Calvet microcalorimetry measurements. These values were used to derive the standard enthalpies of formation of the compounds in the gas-phase at the same temperature, which were compared with estimated data from G3(MP2)//B3LYP computations.
机译:本工作报告了一项实验性热化学研究,得到了环中含氧的两种杂环化合物:compounds吨酮和四氢-γ-吡喃酮的最新技术计算的支持。在T = 298.15 K时,在冷凝相中形成的标准(pº= 0.1 MPa)摩尔标准焓是通过使用静态炸弹量热仪对氧气气氛中燃烧的标准摩尔能进行测量得出的。从Calvet微量热法测量获得标题化合物在T = 298.15K下的升华或汽化的标准摩尔焓。这些值用于推导在相同温度下气相中化合物形成的标准焓,并将其与G3(MP2)// B3LYP计算得出的估计数据进行比较。

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