The Existence of a N→C Dative Bond in the C60–Piperidine Complex
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61388963%3A_____%2F21%3A00540182" target="_blank" >RIV/61388963:_____/21:00540182 - isvavai.cz</a>
Alternative codes found
RIV/61989592:15310/20:73603955 RIV/61989592:15310/21:73610908 RIV/61989592:15640/21:73610908
Result on the web
<a href="https://doi.org/10.1002/anie.202012851" target="_blank" >https://doi.org/10.1002/anie.202012851</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1002/anie.202012851" target="_blank" >10.1002/anie.202012851</a>
Alternative languages
Result language
angličtina
Original language name
The Existence of a N→C Dative Bond in the C60–Piperidine Complex
Original language description
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. 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 FTIR spectroscopy explain the specific interactions between C60 and piperidine. The differences in behavior of individual carbon allotropes in terms of dative bonding formation brings a new insight into their controllable organic functionalization.
Czech name
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Czech description
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Classification
Type
J<sub>imp</sub> - Article in a specialist periodical, which is included in the Web of Science database
CEP classification
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OECD FORD branch
10403 - Physical chemistry
Result continuities
Project
—
Continuities
I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace
Others
Publication year
2021
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
Angewandte Chemie - International Edition
ISSN
1433-7851
e-ISSN
1521-3773
Volume of the periodical
60
Issue of the periodical within the volume
4
Country of publishing house
DE - GERMANY
Number of pages
9
Pages from-to
1942-1950
UT code for WoS article
000591753500001
EID of the result in the Scopus database
2-s2.0-85096719878