The structure of fullerene C66, which does not obey the rule of isolated pentagons, and endohedral metallofullerene Sc2@C66: Quantum-chemical calculations
Publication type: Journal Article
Publication date: 2008-07-01
scimago Q4
wos Q4
SJR: 0.204
CiteScore: 1.2
Impact factor: 0.8
ISSN: 00360244, 1531863X
Physical and Theoretical Chemistry
Abstract
The molecular structure of the isomer 4348 (C 2v ) of fullerene C66, which does not obey the rule of isolated pentagons, is analyzed. Data on the distribution of single, double, and delocalized bonds in this molecule were obtained for the first time. Quantum-chemical (DFT) calculations showed that the hypothetical C66 molecule was a biradical, which was the reason for its instability. In metallofullerene Sc2@C66, the main changes in bond lengths and electron density transfer from scandium atoms to the carbon shell of fullerene occurred in pentalene substructures and conjugated π bond chains.
Found
Nothing found, try to update filter.
Found
Nothing found, try to update filter.
Top-30
Journals
|
1
|
|
|
Journal of Molecular Modeling
1 publication, 12.5%
|
|
|
Mendeleev Communications
1 publication, 12.5%
|
|
|
Theoretical Chemistry Accounts
1 publication, 12.5%
|
|
|
Fullerenes Nanotubes and Carbon Nanostructures
1 publication, 12.5%
|
|
|
Journal of Physical Chemistry A
1 publication, 12.5%
|
|
|
International Journal of Quantum Chemistry
1 publication, 12.5%
|
|
|
Structural Chemistry
1 publication, 12.5%
|
|
|
Journal of Chemical Physics
1 publication, 12.5%
|
|
|
1
|
Publishers
|
1
2
3
|
|
|
Springer Nature
3 publications, 37.5%
|
|
|
Elsevier
1 publication, 12.5%
|
|
|
Taylor & Francis
1 publication, 12.5%
|
|
|
American Chemical Society (ACS)
1 publication, 12.5%
|
|
|
Wiley
1 publication, 12.5%
|
|
|
AIP Publishing
1 publication, 12.5%
|
|
|
1
2
3
|
- 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
8
Total citations:
8
Citations from 2025:
0
Cite this
GOST |
RIS |
BibTex |
MLA
Cite this
GOST
Copy
Khamatgalimov A. R., Kovalenko V. I. The structure of fullerene C66, which does not obey the rule of isolated pentagons, and endohedral metallofullerene Sc2@C66: Quantum-chemical calculations // Russian Journal of Physical Chemistry A. 2008. Vol. 82. No. 7. pp. 1164-1169.
GOST all authors (up to 50)
Copy
Khamatgalimov A. R., Kovalenko V. I. The structure of fullerene C66, which does not obey the rule of isolated pentagons, and endohedral metallofullerene Sc2@C66: Quantum-chemical calculations // Russian Journal of Physical Chemistry A. 2008. Vol. 82. No. 7. pp. 1164-1169.
Cite this
RIS
Copy
TY - JOUR
DO - 10.1134/S0036024408070194
UR - https://doi.org/10.1134/S0036024408070194
TI - The structure of fullerene C66, which does not obey the rule of isolated pentagons, and endohedral metallofullerene Sc2@C66: Quantum-chemical calculations
T2 - Russian Journal of Physical Chemistry A
AU - Khamatgalimov, A R
AU - Kovalenko, V. I.
PY - 2008
DA - 2008/07/01
PB - Pleiades Publishing
SP - 1164-1169
IS - 7
VL - 82
SN - 0036-0244
SN - 1531-863X
ER -
Cite this
BibTex (up to 50 authors)
Copy
@article{2008_Khamatgalimov,
author = {A R Khamatgalimov and V. I. Kovalenko},
title = {The structure of fullerene C66, which does not obey the rule of isolated pentagons, and endohedral metallofullerene Sc2@C66: Quantum-chemical calculations},
journal = {Russian Journal of Physical Chemistry A},
year = {2008},
volume = {82},
publisher = {Pleiades Publishing},
month = {jul},
url = {https://doi.org/10.1134/S0036024408070194},
number = {7},
pages = {1164--1169},
doi = {10.1134/S0036024408070194}
}
Cite this
MLA
Copy
Khamatgalimov, A. R., and V. I. Kovalenko. “The structure of fullerene C66, which does not obey the rule of isolated pentagons, and endohedral metallofullerene Sc2@C66: Quantum-chemical calculations.” Russian Journal of Physical Chemistry A, vol. 82, no. 7, Jul. 2008, pp. 1164-1169. https://doi.org/10.1134/S0036024408070194.
Profiles