Structure-directed formation of the dative/covalent bonds in complexes with C<inf>70</inf>⋯piperidine
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61388963%3A_____%2F21%3A00541261" target="_blank" >RIV/61388963:_____/21:00541261 - isvavai.cz</a>
Result on the web
<a href="https://doi.org/10.1039/D0CP06280D" target="_blank" >https://doi.org/10.1039/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 C<inf>70</inf>⋯piperidine
Original language description
The combined experimental-computational study has been performed to investigate the complexes formed between C70carbon 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 C70⋯piperidine complexes. The dative bond forms not only at the region of five- and six-membered rings, observed previously with C60, 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 C70bring 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
10403 - Physical chemistry
Result continuities
Project
Result was created during the realization of more than one project. More information in the Projects tab.
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
Physical Chemistry Chemical Physics
ISSN
1463-9076
e-ISSN
1463-9084
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