Structure-directed formation of the dative/covalent bonds in complexes with C70MIDLINE HORIZONTAL ELLIPSISpiperidine
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61989100%3A27640%2F21%3A10247751" target="_blank" >RIV/61989100:27640/21:10247751 - isvavai.cz</a>
Result on the web
<a href="https://pubs.rsc.org/en/content/articlelanding/2021/CP/D0CP06280D" target="_blank" >https://pubs.rsc.org/en/content/articlelanding/2021/CP/D0CP06280D</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1039/d0cp06280d" target="_blank" >10.1039/d0cp06280d</a>
Alternative languages
Result language
angličtina
Original language name
Structure-directed formation of the dative/covalent bonds in complexes with C70MIDLINE HORIZONTAL ELLIPSISpiperidine
Original language description
The combined experimental-computational study has been performed to investigate the complexes formed between C-70 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 the existence of dative/covalent bonding in C70MIDLINE HORIZONTAL ELLIPSISpiperidine complexes. The dative bond forms not only at the region of five- and six-membered rings, observed previously with C-60, but also at the region formed of six-membered rings. The structure, i.e., nonplanarity, explains the observed dative bond formation. New findings on the character of interaction of secondary amines with C-70 bring new aspects for the rational design of modified fullerenes and their applications in electrocatalysis, spintronics, and energy storage.
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
10400 - Chemical sciences
Result continuities
Project
<a href="/en/project/GX19-27454X" target="_blank" >GX19-27454X: Control of electronic properties of metal-containing molecules through their noncovalent interactions with solvents, ligands and 2D nanosystems</a><br>
Continuities
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)
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
Physical Chemistry Chemical Physics
ISSN
1463-9076
e-ISSN
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Volume of the periodical
23
Issue of the periodical within the volume
7
Country of publishing house
GB - UNITED KINGDOM
Number of pages
11
Pages from-to
4365-4375
UT code for WoS article
000621595300032
EID of the result in the Scopus database
2-s2.0-85101680546