Fullerenes Nanotubes and Carbon Nanostructures

, том 25 , издание 2 , страницы 128-132

Stabilization of IPR open-shell fullerenes C74 (D3h) and C76 (Td) in radical addition reactions

Тип публикации: Journal Article

Дата публикации: 2016-12-20

Taylor & Francis

Fullerenes Nanotubes and Carbon Nanostructures

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SJR: 0.362

CiteScore: 4

Impact factor: 1.8

ISSN: 1536383X, 15364046

DOI: 10.1080/1536383X.2016.1269320

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Organic Chemistry

Physical and Theoretical Chemistry

Atomic and Molecular Physics, and Optics

General Materials Science

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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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Journal of Physical Chemistry C	Journal of Physical Chemistry C, 2, 40% Journal of Physical Chemistry C 2 публикации, 40%
Structural Chemistry	Structural Chemistry, 1, 20% Structural Chemistry 1 публикация, 20%
Physical Chemistry Chemical Physics	Physical Chemistry Chemical Physics, 1, 20% Physical Chemistry Chemical Physics 1 публикация, 20%
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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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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.