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On the Existence of N→C Dative Bond in C60‐Piperidine Complex
Angewandte Chemie International Edition 2020: Early View
The complexes formed between carbon allotropes (C20, C60 fullerenes, graphene and single wall carbon nanotubes) and piperidine have been investigated by means of computational quantum chemical and experimental IR and NMR techniques. Alongside hydrogen bonds; the C···N tetrel bond; and lone‐pair···π interactions, the unexpected N→C dative/covalent bond has been detected solely in complexes of fullerenes with piperidine. The effect of particular structural motives on the formation of dative bonds has been explored. Non‐planarity and five‐member rings of carbon allotropes represent the key structural prerequisites for the unique formation of a dative N→C bond. The results of thermodynamics calculations, molecular dynamics simulations and NMR and FT‐IR spectroscopies explain the specific interactions between C 60 and piperidine. The differences in behavior of individual carbon allotropes in terms of dative bonding formation brings a new insight into their controllable organic…
Efficient synthesis of α-branched purine-based acyclic nucleosides: Scopes and limitations of the method
Molecules 25 (18): 4307 (2020)
Non-Covalent Interactions Atlas Benchmark Data Sets 2: Hydrogen Bonding in an Extended Chemical Space
Journal of Chemical Theory and Computation 16 (10): 6305-6316 (2020)