Radical IPR Fullerenes C74 (D3h) and C76 (Td): Dimer, Trimer, etc. Experiments and Theory
A.R Khamatgalimov
1, 2
,
V.I. Kovalenko
1, 2
Publication type: Journal Article
Publication date: 2018-01-30
scimago Q1
wos Q3
SJR: 0.914
CiteScore: 6.2
Impact factor: 3.2
ISSN: 19327447, 19327455
Surfaces, Coatings and Films
Electronic, Optical and Magnetic Materials
Physical and Theoretical Chemistry
General Energy
Abstract
Analyses based on molecular modeling, bonds distribution, and subsequent quantum-chemical calculations of open-shell fullerenes C74 (D3h) and C76 (Td) as initial representatives of polymers have shown that the binding of molecules is most probable with participation of c–c atoms for fullerene C74 (D3h) and b–c and c–c atoms for fullerene C76 (Td). Open-shell triplet configurations of dimer molecules remains more favorable, including trimers, tetramers, and pentamers of C74 (D3h) having a chain structure. Analysis of the published experimental data demonstrates the reconcilable picture of this IPR C74 (D3h) radical fullerene “life”.
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Khamatgalimov A. et al. Radical IPR Fullerenes C74 (D3h) and C76 (Td): Dimer, Trimer, etc. Experiments and Theory // Journal of Physical Chemistry C. 2018. Vol. 122. No. 5. pp. 3146-3151.
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Khamatgalimov A., Kovalenko V. Radical IPR Fullerenes C74 (D3h) and C76 (Td): Dimer, Trimer, etc. Experiments and Theory // Journal of Physical Chemistry C. 2018. Vol. 122. No. 5. pp. 3146-3151.
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TY - JOUR
DO - 10.1021/acs.jpcc.7b11940
UR - https://doi.org/10.1021/acs.jpcc.7b11940
TI - Radical IPR Fullerenes C74 (D3h) and C76 (Td): Dimer, Trimer, etc. Experiments and Theory
T2 - Journal of Physical Chemistry C
AU - Khamatgalimov, A.R
AU - Kovalenko, V.I.
PY - 2018
DA - 2018/01/30
PB - American Chemical Society (ACS)
SP - 3146-3151
IS - 5
VL - 122
SN - 1932-7447
SN - 1932-7455
ER -
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BibTex (up to 50 authors)
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@article{2018_Khamatgalimov,
author = {A.R Khamatgalimov and V.I. Kovalenko},
title = {Radical IPR Fullerenes C74 (D3h) and C76 (Td): Dimer, Trimer, etc. Experiments and Theory},
journal = {Journal of Physical Chemistry C},
year = {2018},
volume = {122},
publisher = {American Chemical Society (ACS)},
month = {jan},
url = {https://doi.org/10.1021/acs.jpcc.7b11940},
number = {5},
pages = {3146--3151},
doi = {10.1021/acs.jpcc.7b11940}
}
Cite this
MLA
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Khamatgalimov, A.R, et al. “Radical IPR Fullerenes C74 (D3h) and C76 (Td): Dimer, Trimer, etc. Experiments and Theory.” Journal of Physical Chemistry C, vol. 122, no. 5, Jan. 2018, pp. 3146-3151. https://doi.org/10.1021/acs.jpcc.7b11940.
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