Why are some polycyclic aromatic hydrocarbons extremely reactive?

文献情報

出版日

DOI 10.1039/A902032B

インパクトファクター 3.676

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要旨

Higher members of the polyacene series are extremely reactive although they are aromatic in nature. This aspect of aromatic chemistry can be explained using conventional indices of kinetic stability, such as a localization energy and a HOMO–LUMO energy separation. Large polyacene molecules have smaller localization energies and smaller HOMO–LUMO energy separations than their respective polyene references defined using matching polynomials. These molecules are presumed to be thermodynamically more stable but kinetically less stable than non-aromatic polyolefins. The same situation is sometimes observed in other groups of polycyclic aromatic hydrocarbons (PAHs). Such highly reactive PAH molecules were found to be substructures of metallic one-dimensional benzenoid polymers.

掲載誌

Physical Chemistry Chemical Physics

CiteScore: 5.5

自己引用率: 10.3%

年間論文数: 3036

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.

Why are some polycyclic aromatic hydrocarbons extremely reactive?

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Physical Chemistry Chemical Physics

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