Fullerenes, endohedral fullerenes, and the prediction of high boiling points
文献情報
Extrapolation of the experimental vapor–pressure curves of the [60], [70], [76] and [84] fullerenes gives normal, estimated boiling or sublimation temperatures such that half of the boiling points predicted by an earlier semi-empirical theory, based primarily on the total molar refraction for all exposed atoms, of essentially all vaporizable non-metals, organic and inorganic, having limited polarities, differ from these estimated values by less than the calculated uncertainties. These data suggest that the theory is applicable up to ca. 1900 K, even though the original proposal made verified claims up to less than 900 K. This leads to: Tb,est([n]fullerene) ≈ Tb,pred([n]fullerene), supporting the claim that we can predict many boiling points over a wide range of temperatures. Here we also extend the predictions to include endohedral fullerenes.
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Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.














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