Radical character of non-IPR isomer 17418 (C1) of fullerene C76
Publication type: Journal Article
Publication date: 2021-02-03
scimago Q3
wos Q3
SJR: 0.362
CiteScore: 4.0
Impact factor: 1.8
ISSN: 1536383X, 15364046
Organic Chemistry
Physical and Theoretical Chemistry
Atomic and Molecular Physics, and Optics
General Materials Science
Abstract
Abstract Using a theoretical approach supported by DFT calculations, the features of molecular structure of isomer 17418 (C1) of fullerene C76 with the distribution of single, double and delocalized π-bonds has been determined for the first time. It is shown the radical nature together with the well-known overstrain due to pentalene fragment are the reasons for the instability of this fullerene as empty molecule. The synthesis of endohedral metallofulerenes is accompanied by the formation of an ion pair: the fullerene anion and a metal cation inside the molecule. It`s leading to the closure of the electron shell of the fullerene molecule and the removal of excess local strains. The previously experimentally determined cations sites inside the fullerene, which stabilize the molecule as a whole, are close to the disclosed radical clusters.
Found
Nothing found, try to update filter.
Found
Nothing found, try to update filter.
Top-30
Journals
|
1
|
|
|
Journal of Physical Chemistry A
1 publication, 100%
|
|
|
1
|
Publishers
|
1
|
|
|
American Chemical Society (ACS)
1 publication, 100%
|
|
|
1
|
- We do not take into account publications without a DOI.
- Statistics recalculated weekly.
Are you a researcher?
Create a profile to get free access to personal recommendations for colleagues and new articles.
Metrics
1
Total citations:
1
Citations from 2024:
0
Cite this
GOST |
RIS |
BibTex |
MLA
Cite this
GOST
Copy
Khamatgalimov A. et al. Radical character of non-IPR isomer 17418 (C1) of fullerene C76 // Fullerenes Nanotubes and Carbon Nanostructures. 2021. Vol. 29. No. 9. pp. 678-684.
GOST all authors (up to 50)
Copy
Khamatgalimov A., Egorova A., Chachkov D., Kovalenko V. Radical character of non-IPR isomer 17418 (C1) of fullerene C76 // Fullerenes Nanotubes and Carbon Nanostructures. 2021. Vol. 29. No. 9. pp. 678-684.
Cite this
RIS
Copy
TY - JOUR
DO - 10.1080/1536383x.2021.1880393
UR - https://doi.org/10.1080/1536383x.2021.1880393
TI - Radical character of non-IPR isomer 17418 (C1) of fullerene C76
T2 - Fullerenes Nanotubes and Carbon Nanostructures
AU - Khamatgalimov, A.R
AU - Egorova, Anna
AU - Chachkov, D.V.
AU - Kovalenko, V.I.
PY - 2021
DA - 2021/02/03
PB - Taylor & Francis
SP - 678-684
IS - 9
VL - 29
SN - 1536-383X
SN - 1536-4046
ER -
Cite this
BibTex (up to 50 authors)
Copy
@article{2021_Khamatgalimov,
author = {A.R Khamatgalimov and Anna Egorova and D.V. Chachkov and V.I. Kovalenko},
title = {Radical character of non-IPR isomer 17418 (C1) of fullerene C76},
journal = {Fullerenes Nanotubes and Carbon Nanostructures},
year = {2021},
volume = {29},
publisher = {Taylor & Francis},
month = {feb},
url = {https://doi.org/10.1080/1536383x.2021.1880393},
number = {9},
pages = {678--684},
doi = {10.1080/1536383x.2021.1880393}
}
Cite this
MLA
Copy
Khamatgalimov, A.R, et al. “Radical character of non-IPR isomer 17418 (C1) of fullerene C76.” Fullerenes Nanotubes and Carbon Nanostructures, vol. 29, no. 9, Feb. 2021, pp. 678-684. https://doi.org/10.1080/1536383x.2021.1880393.