volume 23 issue 2 pages 148-152

Stability of Isolated-Pentagon-Rule Isomers of Fullerene C76

Publication typeJournal Article
Publication date2014-08-27
scimago Q3
wos Q3
SJR0.362
CiteScore4.0
Impact factor1.8
ISSN1536383X, 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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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.
GOST all authors (up to 50) Copy
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.
RIS |
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RIS Copy
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 -
BibTex |
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BibTex (up to 50 authors) Copy
@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}
}
MLA
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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.