Magnetic Resonance Energies of Polycyclic Aromatic Hydrocarbon Molecular Ions

• Autorzy: Ishida T. , Kanno H. , Aihara J.
• Języki publikacji: EN

Abstrakty

EN

Magnetic resonance energy (MRE), derived from the magnetic response of a cyclic pi-system, is the first aromatic stabilization energy that does not rely on any hypothetical reference system. MREs for all possible molecular ions of typical polycyclic aromatic hydrocarbons (PAHs) were calculated and characterized. It was found that for all aromatic PAH molecular ions,MRE is highly correlative with topological resonance energy (TRE).

Słowa kluczowe

EN

aromaticity; polycyclic aromatic hydrocarbon; magnetic resonance energy; circuit resonance energy

• Wydawca: Polskie Towarzystwo Chemiczne
• Czasopismo: Polish Journal of Chemistry
• Rocznik: 2007
• Tom: Vol. 81, nr 5-6
• Strony: 699--710
• Opis fizyczny: Bibliogr. 38 poz., rys.

Twórcy

autor

Ishida T.

autor

Kanno H.

autor

Aihara J.

• Fukui Institute for Fundamental Chemistry, Kyoto University, Takano-Nishibirakicho, Kyoto 606-8103, Japan,

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