Loading…
Synthesis, Isolation, and Structural Study of Trifluoromethyl Derivatives of the IPR Isomer of C 84 Fullerene, C 84 (11)(CF 3 ) 14,16,18
C 84 is the most abundant higher fullerene which is present in the arc‐discharge fullerene soot. Among 24 topologically possible IPR isomers of C 84 , two major isomers, C 84 (22) and C 84 (23), and several minor ones have been identified experimentally. We report the synthesis, isolation, and struc...
Saved in:
| Published in: | ChemistrySelect (Weinheim) 2022-11, Vol.7 (44) |
|---|---|
| Main Authors: | , , , , , |
| Format: | Article |
| Language: | English |
| Citations: | Items that this one cites Items that cite this one |
| Online Access: | Get full text |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
| Summary: | C
84
is the most abundant higher fullerene which is present in the arc‐discharge fullerene soot. Among 24 topologically possible IPR isomers of C
84
, two major isomers, C
84
(22) and C
84
(23), and several minor ones have been identified experimentally. We report the synthesis, isolation, and structure elucidation of trifluoromethyl derivatives of the most abundant minor isomer of C
84
, C
84
(11)(CF
3
)
14,16,18
. The experimentally determined addition patterns of altogether eight new compounds, four C
84
(11)(CF
3
)
14
, three C
84
(11)(CF
3
)
16
, and one C
84
(11)(CF
3
)
18
, are discussed in terms of the attachments in ribbons of
para
C
6
(CF
3
)
2
hexagons and formation of stabilizing substructures of local aromaticity on the
C
2
−C
84
(11) carbon cage. The general principles of multi addition of bulky CF
3
groups are considered which are based on theoretical DFT calculations of formation energies of C
84
(11)(CF
3
)
n
isomers. Thus, trifluoromethylation pathways are now discussed in details for five different isomers of C
84
. |
|---|---|
| ISSN: | 2365-6549 2365-6549 |
| DOI: | 10.1002/slct.202202214 |