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INTERACTION OF THE DIOXYGEN MOLECULE WITH THE C₉₆H₂₄ POLYAROMATIC HYDROCARBON CLUSTER: A QUANTUM CHEMICAL INSIGHT

Institute for Sorption and Problems of Endoecology, National Academy of Sciences of Ukraine, Gen. Naumova Street 17, Kiev 03680, Ukraine

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YURIJ A. TARASENKO

Institute for Sorption and Problems of Endoecology, National Academy of Sciences of Ukraine, Gen. Naumova Street 17, Kiev 03680, Ukraine

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VOLODYMYR V. STRELKO

Institute for Sorption and Problems of Endoecology, National Academy of Sciences of Ukraine, Gen. Naumova Street 17, Kiev 03680, Ukraine

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OLEKSIY V. KHAVRYUCHENKO

Chemical Department, Kiev National Taras Shevchenko University, Volodymyrska Street 64, Kiev 01033, Ukraine

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, and

VLADYSLAV V. LISNYAK

Chemical Department, Kiev National Taras Shevchenko University, Volodymyrska Street 64, Kiev 01033, Ukraine

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https://doi.org/10.1142/S0217979208039289Cited by:2 (Source: Crossref)

Abstract

Interaction of the previously described [V. D. Khavryuchenko, Y. A. Tarasenko, V. V. Strelko, O. V. Khavryuchenko and V. V. Lisnyak, Quantum chemical study of polyaromatic hydrocarbons in high multiplicity states, Int. J. Modern. Phys. B21, 4507 (2007), in press] polyaromatic hydrocarbon (PAH) C₉₆H₂₄ with dioxygen molecule and KO₂ have been quantum chemically examined. The probability of existence of the oxygen superoxide ion-radical O₂ adsorbed on the surface of the PAH is critically discussed.

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