Computational support of an entropy conjecture for charged fullerenes

机译：带电荷的富勒烯熵猜想的计算支持

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Thermochemical data for fullerenes are relatively very rare owing to usually small amount of the avaialble material. Some thermochemical information has however been derived from gas-phase experiments using the Knudsen cell mass spectrometry method. Equilibraium constants for electron transfer reactions between fullerenes were measured recently and the related standard Gibbs free energy changes derived. However, the second law treatment of the data cannot produce accurate enghalpy terms. The third law treatment can be carried out, however, one crucial presumpition is needed, viz. that the change in the thermodynamic potentials along the considered reactions is negligible.

机译：由于通常少量的可用物质，富勒烯的热化学数据相对很少。然而，一些热化学信息已经从使用Knudsen细胞质谱法的气相实验中获得。最近测量了富勒烯之间电子转移反应的平衡常数，并推导了相关的标准吉布斯自由能变化。但是，数据的第二定律处理不能产生准确的焓项。可以进行第三次法律处理，但是，需要一个关键的前提，即。沿所考虑的反应的热力学势的变化可以忽略不计。

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《International Symposium on Fullerenes 2000 - Vol.10 Chemistry and Physics of Fullerenes and Carbon Nanomaterials 197~th Meeting of the Electrochemical Society in Toronto, Canada, May 14-18, 2000》|2000年|p.142-149|共8页
会议地点 Toronto(CA);Toronto(CA)
作者
Zdenek Slanina; Xiang Zhao; Filip Uhlik; Olga V. Boltalina; Eiji Osawa;
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正文语种 eng
中图分类化学工业;
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4. Computational Support of an Entropy Conjecture for Charged Fullerenes [C] . Zdenek Slanina, Xiang Zhao, Filip Uhlik The Meeting of the Electrochemical Society . 2000

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6. Comparative Computational Study of Interaction of C60-Fullerene and Tris-Malonyl-C60-Fullerene Isomers with Lipid Bilayer: Relation to Their Antioxidant Effect [O] . Marine E. Bozdaganyan, Philipp S. Orekhov, Alexey K. Shaytan, -1

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Computational support of an entropy conjecture for charged fullerenes

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