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Theoretical insight into the doubly antiaromatic carbon allotrope cyclo[16]carbon.
- Source :
- Physical Chemistry Chemical Physics (PCCP); 4/7/2024, Vol. 26 Issue 13, p10284-10288, 5p
- Publication Year :
- 2024
-
Abstract
- A new carbon allotrope, cyclo[16]carbon (C<subscript>16</subscript>), has recently been successfully synthesized. It is hypothesized to exhibit double antiaromatic properties owing to the 4n π electrons. Theoretical calculations are a feasible method for systematically studying the structures and properties of unstable antiaromatic molecules. The results show that C<subscript>16</subscript> has a planar structure characterized by alternating long and short bonds with D<subscript>8h</subscript>, and a strong antiaromatic characteristic originates from the two perpendicular π systems. We performed an extensive comparative analysis of C<subscript>16</subscript> and the aromatic cyclo[18]carbon, C<subscript>18</subscript>. This study offers valuable insight into the structural and electronic characteristics of C<subscript>16</subscript> and could inspire innovative applications and avenues for its utilization in various fields. [ABSTRACT FROM AUTHOR]
Details
- Language :
- English
- ISSN :
- 14639076
- Volume :
- 26
- Issue :
- 13
- Database :
- Complementary Index
- Journal :
- Physical Chemistry Chemical Physics (PCCP)
- Publication Type :
- Academic Journal
- Accession number :
- 176277265
- Full Text :
- https://doi.org/10.1039/d3cp06301a