INTERACTION OF THE DIOXYGEN MOLECULE WITH THE C96H24 POLYAROMATIC HYDROCARBON CLUSTER: A QUANTUM CHEMICAL INSIGHT-Reference-Cited by-同舟云学术

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

Published:2008-05-20 Issue:13 Volume:22 Page:2115-2127
ISSN:0217-9792
Container-title:International Journal of Modern Physics B
language:en
Short-container-title:Int. J. Mod. Phys. B

Author:

KHAVRYUCHENKO VOLODYMYR D.¹,TARASENKO YURIJ A.¹,STRELKO VOLODYMYR V.¹,KHAVRYUCHENKO OLEKSIY V.²,LISNYAK VLADYSLAV V.²

Affiliation:

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

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

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) C 96 H 24 with dioxygen molecule and KO2 have been quantum chemically examined. The probability of existence of the oxygen superoxide ion-radical O 2 adsorbed on the surface of the PAH is critically discussed.

Publisher

World Scientific Pub Co Pte Lt

Subject

Condensed Matter Physics,Statistical and Nonlinear Physics

Link

https://www.worldscientific.com/doi/pdf/10.1142/S0217979208039289

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