Home / Publications / The key feature of instability of small non-IPR closed-shell fullerenes: three isomers of C40

The key feature of instability of small non-IPR closed-shell fullerenes: three isomers of C40

Ayrat Raisovich Khamatgalimov 1
Ayrat Raisovich Khamatgalimov
, 
Rustem I Idrisov 2
Rustem I Idrisov
, 
Ilnaz I Kamaletdinov 2
Ilnaz I Kamaletdinov
, 
Valeri Ignat'evich Kovalenko 1
Valeri Ignat'evich Kovalenko
10.1016/j.mencom.2020.11.012
Published 2020-11-03
Communication , Volume 30, Issue 6, 725-727
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Khamatgalimov A. R. et al. The key feature of instability of small non-IPR closed-shell fullerenes: three isomers of C40 // Mendeleev Communications. 2020. Vol. 30. No. 6. pp. 725-727.
GOST all authors (up to 50) Copy
Khamatgalimov A. R., Idrisov R. I., Kamaletdinov I. I., Kovalenko V. I. The key feature of instability of small non-IPR closed-shell fullerenes: three isomers of C40 // Mendeleev Communications. 2020. Vol. 30. No. 6. pp. 725-727.
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TY - JOUR
DO - 10.1016/j.mencom.2020.11.012
UR - https://mendcomm.colab.ws/publications/10.1016/j.mencom.2020.11.012
TI - The key feature of instability of small non-IPR closed-shell fullerenes: three isomers of C40
T2 - Mendeleev Communications
AU - Khamatgalimov, Ayrat Raisovich
AU - Idrisov, Rustem I
AU - Kamaletdinov, Ilnaz I
AU - Kovalenko, Valeri Ignat'evich
PY - 2020
DA - 2020/11/03
PB - Mendeleev Communications
SP - 725-727
IS - 6
VL - 30
ER -
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@article{2020_Khamatgalimov,
author = {Ayrat Raisovich Khamatgalimov and Rustem I Idrisov and Ilnaz I Kamaletdinov and Valeri Ignat'evich Kovalenko},
title = {The key feature of instability of small non-IPR closed-shell fullerenes: three isomers of C40},
journal = {Mendeleev Communications},
year = {2020},
volume = {30},
publisher = {Mendeleev Communications},
month = {Nov},
url = {https://mendcomm.colab.ws/publications/10.1016/j.mencom.2020.11.012},
number = {6},
pages = {725--727},
doi = {10.1016/j.mencom.2020.11.012}
}
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Khamatgalimov, Ayrat Raisovich, et al. “The key feature of instability of small non-IPR closed-shell fullerenes: three isomers of C40.” Mendeleev Communications, vol. 30, no. 6, Nov. 2020, pp. 725-727. https://mendcomm.colab.ws/publications/10.1016/j.mencom.2020.11.012.

Keywords

bonds distribution
fused pentagons
radical
small fullerene
strain
substructures

Abstract

The molecular structures of non-IPR C40 fullerene isomers 31 (Cs), 38 (D2) and 39 (D5d) were studied using a semiempirical approach developed earlier for higher fullerenes. Quantumchemical calculations (DFT) showed that they have closed shells. The distributions of single, double and delocalized π bonds in the test isomer molecules and their molecular formulas are presented for the first time.

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