Stability of Isolated-Pentagon-Rule Isomers of Fullerene C76
Publication type: Journal Article
Publication date: 2014-08-27
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
The structures of both IPR-isomers of C76 fullerene with distributed single, double and delocalized bonds are presented for the first time. Obtained results are fully supported by DFT quantum-chemical calculations of electronic and geometrical structures of these isomers. The main reason of instability of isomer 2 (Td) is presence of four phenalenyl-radical substructures, whereas stable isomer 1 (D2) has the closed electronic shell. Thus, there is a possibility to obtain isomer 2 (Td) only as endohedral metallofullerenes or exohedral derivatives.
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13
Total citations:
13
Citations from 2024:
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(7%)
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Khamatgalimov A., Kovalenko V. Stability of Isolated-Pentagon-Rule Isomers of Fullerene C76 // Fullerenes Nanotubes and Carbon Nanostructures. 2014. Vol. 23. No. 2. pp. 148-152.
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Khamatgalimov A., Kovalenko V. Stability of Isolated-Pentagon-Rule Isomers of Fullerene C76 // Fullerenes Nanotubes and Carbon Nanostructures. 2014. Vol. 23. No. 2. pp. 148-152.
Cite this
RIS
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TY - JOUR
DO - 10.1080/1536383X.2012.758114
UR - https://doi.org/10.1080/1536383X.2012.758114
TI - Stability of Isolated-Pentagon-Rule Isomers of Fullerene C76
T2 - Fullerenes Nanotubes and Carbon Nanostructures
AU - Khamatgalimov, A.R
AU - Kovalenko, V.I.
PY - 2014
DA - 2014/08/27
PB - Taylor & Francis
SP - 148-152
IS - 2
VL - 23
SN - 1536-383X
SN - 1536-4046
ER -
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BibTex (up to 50 authors)
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@article{2014_Khamatgalimov,
author = {A.R Khamatgalimov and V.I. Kovalenko},
title = {Stability of Isolated-Pentagon-Rule Isomers of Fullerene C76},
journal = {Fullerenes Nanotubes and Carbon Nanostructures},
year = {2014},
volume = {23},
publisher = {Taylor & Francis},
month = {aug},
url = {https://doi.org/10.1080/1536383X.2012.758114},
number = {2},
pages = {148--152},
doi = {10.1080/1536383X.2012.758114}
}
Cite this
MLA
Copy
Khamatgalimov, A.R, and V.I. Kovalenko. “Stability of Isolated-Pentagon-Rule Isomers of Fullerene C76.” Fullerenes Nanotubes and Carbon Nanostructures, vol. 23, no. 2, Aug. 2014, pp. 148-152. https://doi.org/10.1080/1536383X.2012.758114.
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