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

Result code in IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61989592%3A15310%2F21%3A73612421" target="_blank" >RIV/61989592:15310/21:73612421 - isvavai.cz</a>

Alternative codes found

RIV/61989592:15640/21:73612421

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>

Result language

angličtina

Original language name

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

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

—

Czech description

—

Type

J_imp - Article in a specialist periodical, which is included in the Web of Science database

CEP classification

—

OECD FORD branch

21001 - Nano-materials (production and properties)

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)

Publication year

2021

Confidentiality

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Name of the periodical

Physical Chemistry Chemical Physics

ISSN

1463-9076

e-ISSN

—

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