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L. V. Serebrennikov, A. V. Golovkin, D. I. Davlyatshin, A. L. Serebrennikova
Interactions
between Nin(n=1–4) clusters
and molecules of methane, water and hydrogen peroxide
Abstract
Quantum chemical
computes and studying IR-spectra of systems Ni4 + CH4, Ni4
+ H2O и Ni4 + H2O2
were performed. The results are discussed conjointly with analogous data for
products of reactions with Nin(n = 1–3).
It was showed that formation of complexes with either hydrogen atoms or CH3–
and OH– radicals in a bridged position is characteristic for the studying
systems. It is essentially that the ground state of nickel frame formed in Ni4
systems has the flat rhombus form which is different from the main isomer form
of Ni4 having pyramidal structure.
Key words: nickel,
clusters, matrix isolation, spectra, quantum chemistry.
Copyright (C) Chemistry Dept., Moscow State University, 2002
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