Physics of the Solid State
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Calculation of vibrational infrared spectra of bis-adduct C60(C6H14N2O2)2
Abbas R.1,2, Izotova S.G.1, Charykov N. A.1,3, Kuznetsov V. V.3, German V. P. 1
1Department of Physical Chemistry, Saint Petersburg State Institute of Technology, Saint Petersburg, Russia
2Department of Pure Chemistry, Al-Baath University, Homs, Syrian Arab Republic
3Department of Physical Chemistry, Electro-technical University «LETI», Saint Petersburg, Russia
Email: vvkuznetsov@inbox.ru

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Adduct C60 with lysine is synthesized using a heterogeneous liquid-phase non-catalytic reaction. Identification was carried out using the methods of high performance liquid chromatography, electron and infrared spectroscopy and complex thermal analysis. The formula of the synthesized crystalline hydrate is defined: C60(C6H14N2O2)2·5H2O. Good compliance of experimental and estimated data by wave numbers of valence vibrations in OH-groups (3460 and 3446 cm-1) and deformation vibrations of COH (1446 and 1441 cm-1) made it possible to conclude on the preferable binding of lysine-fullerene in ε-NH2 position. Keywords: C60(C6H14N2O_2)2, vibrational spectrum, liquid chromatography, density functional theory.
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