Structure-directed formation of the dative/covalent bonds in complexes with C70⋯piperidine

The combined experimental-computational study has been performed to investigate the complexes formed between C70 carbon allotrope and piperidine. The results of FT-IR, H-NMR, and C-NMR measurements, together with the calculations based on the DFT approach and molecular dynamics simulations, prove th...

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Veröffentlicht in:	Physical chemistry chemical physics : PCCP 2021-01, Vol.23 (7), p.4365-4375
Hauptverfasser:	Lo, Rabindranath, Lamanec, Maximilián, Wang, Weizhou, Manna, Debashree, Bakandritsos, Aristides, Dračínský, Martin, Zbořil, Radek, Nachtigallová, Dana, Hobza, Pavel
Format:	Artikel
Sprache:	eng
Schlagworte:	Allotropy Amines Coordination compounds Covalent bonds Design modifications Energy storage Fullerenes Molecular dynamics NMR Nuclear magnetic resonance Piperidine Spintronics
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