Stabilization of IPR open-shell fullerenes C74 (D3h) and C76 (Td) in radical addition reactions
Publication type: Journal Article
Publication date: 2016-12-20
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 The analysis of previously experimentally obtained and characterized by X-ray perfluoralkyl derivatives C74(D3h)(CF3)12 and C76(Td)(CF3)12 have shown for the first time that the most feasible positions of addends are phenalenyl-radical substructures and/or hexagons with delocalized pi-bonds, that lead to stabilization of these molecules. The most probable addition positions of H• and CF3• radicals to the «missing» fullerenes С74 (D3h) and С76 (Td) are revealed on the basis of developed approach of molecular modeling followed by DFT calculations. Radical addition reactions seem to be useful for stabilization of open-shell fullerenes.
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Khamatgalimov A. R., Kovalenko V. I. Stabilization of IPR open-shell fullerenes C74 (D3h) and C76 (Td) in radical addition reactions // Fullerenes Nanotubes and Carbon Nanostructures. 2016. Vol. 25. No. 2. pp. 128-132.
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Khamatgalimov A. R., Kovalenko V. I. Stabilization of IPR open-shell fullerenes C74 (D3h) and C76 (Td) in radical addition reactions // Fullerenes Nanotubes and Carbon Nanostructures. 2016. Vol. 25. No. 2. pp. 128-132.
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TY - JOUR
DO - 10.1080/1536383X.2016.1269320
UR - https://doi.org/10.1080/1536383X.2016.1269320
TI - Stabilization of IPR open-shell fullerenes C74 (D3h) and C76 (Td) in radical addition reactions
T2 - Fullerenes Nanotubes and Carbon Nanostructures
AU - Khamatgalimov, Ayrat R
AU - Kovalenko, Valeri I
PY - 2016
DA - 2016/12/20
PB - Taylor & Francis
SP - 128-132
IS - 2
VL - 25
SN - 1536-383X
SN - 1536-4046
ER -
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@article{2016_Khamatgalimov,
author = {Ayrat R Khamatgalimov and Valeri I Kovalenko},
title = {Stabilization of IPR open-shell fullerenes C74 (D3h) and C76 (Td) in radical addition reactions},
journal = {Fullerenes Nanotubes and Carbon Nanostructures},
year = {2016},
volume = {25},
publisher = {Taylor & Francis},
month = {dec},
url = {https://doi.org/10.1080/1536383X.2016.1269320},
number = {2},
pages = {128--132},
doi = {10.1080/1536383X.2016.1269320}
}
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MLA
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Khamatgalimov, Ayrat R., and Valeri I Kovalenko. “Stabilization of IPR open-shell fullerenes C74 (D3h) and C76 (Td) in radical addition reactions.” Fullerenes Nanotubes and Carbon Nanostructures, vol. 25, no. 2, Dec. 2016, pp. 128-132. https://doi.org/10.1080/1536383X.2016.1269320.
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