Year: 2025
Type: article
Abstract: High Resolution Image Download MS PowerPoint Slide While a few fullertubes satisfying the isolated pentagon rule have been experimentally synthesized, non-IPR isomers may become accessible through endohedral or exohedral functionalization. Density functional theory has been used to predict a novel class of non-IPR [3,3] fullertube chlorides, attributed to the release of strains from a triplet of directly fused pentagons (TDFP) in the fullertube end-caps. Additionally, we proposed that the growth of fullertubes proceeds via the continuous insertion of C 2 fragments, involving nonclassical fullerene intermediates containing heptagonal rings. These findings have significant implications for the synthesis of novel fullertube structures and, more broadly, carbon nanotubes.
Source: ACS Omega
Institution: Xiamen University
Language: English
Subfield: Organic Chemistry
Field: Chemistry
Domain: Physical Sciences
Open Access status: gold
Estimated APC paid: $1,935
OpenAlex ID: W4414392389