Chemistry of Cyclo[18]Carbon (C18): A Review DOI

Pooja Pooja,

Sarita Yadav, Ravinder Pawar

et al.

The Chemical Record, Journal Year: 2024, Volume and Issue: 24(8)

Published: July 12, 2024

Carbon-based allotropes are propelling a technological revolution in communication, sensing, and computing, concurrently challenging fundamental theories of the previous century. Nevertheless, demand for advanced carbon-based materials remains substantial. The crux lies efficient reliable engineering novel carbon allotrope. Although C

Language: Английский

Obtaining (BN)4C10 with excellent optoelectronic properties by screening boron-nitrogen substituted cyclo[18]carbon, (BN)nC(18-2n) (n = 1–9) DOI
Xiaohong Chen,

Zhibo Xie,

Jiaojiao Wang

et al.

Chemical Engineering Journal, Journal Year: 2025, Volume and Issue: unknown, P. 163236 - 163236

Published: April 1, 2025

Language: Английский

Citations

0
Molecular aromaticity: a quantum phenomenon DOI
Miquel Solà, Dariusz W. Szczepanik

Pure and Applied Chemistry, Journal Year: 2025, Volume and Issue: unknown

Published: April 15, 2025

Abstract To celebrate the International Year of Quantum Science and Technology (IYQ), we discuss how concept aromaticity emerges from postulates quantum mechanics. Based on this discussion, analyze case cyclo [18]carbon, a molecule that was characterized for first time in 2019 scanning tunneling microscope. From very beginning, classified as an aromatic molecule. In present work, challenge classification provide arguments to classify non-aromatic species.

Language: Английский

Citations

0
On the supramolecular interactions into a pH‐ and Metal‐Actuated Molecular Shuttle: some insights from QTAIM modeling DOI Creative Commons
Costantino Zazza, Nico Sanna, Stefano Borocci

et al.

ChemPhysChem, Journal Year: 2024, Volume and Issue: 25(23)

Published: Aug. 15, 2024

Abstract Supramolecular contacts responsible for chemical interaction of cucurbit[7]uril ( CB[7] ) macrocycle on a Tolyl‐Viologen‐Phenylene‐Imidazole T‐VPI molecular thread, at acid pH T‐VPI‐H + or after Ag cation addition T‐VPI‐Ag ), are analytically addressed in computational framework combining Quantum Theory Atoms Molecules (QTAIM) with Density Functional (DFT). In this respect, the crystallographic structure (CCDC number 2217466) is taken as reference condition addressing nature interactions driving shuttling between T and P stations recently observed dilute water solutions. Beside host( vs guest( complexation, coordination sphere also investigated by means local electronic energy density ‐ H r descriptors. The derived non‐covalent patterns found to support diagnostic 1 NMR signals used detecting mutual position along axle. This work highlights potentialities QTAIM based approach characterization supramolecular metal‐complexation effects aggregates such not‐interlocked synthetic shuttles.

Language: Английский

Citations

1
Aromaticity and substitution effect of the mono-boron-nitrogen-replaced analogues of cyclo[18]carbon DOI
Xiaoyu Cheng, Chuanzhi Sun, Xueli Cheng

et al.

Chemical Physics Letters, Journal Year: 2024, Volume and Issue: 860, P. 141816 - 141816

Published: Dec. 12, 2024

Language: Английский

Citations

1
Chemistry of Cyclo[18]Carbon (C18): A Review DOI

Pooja Pooja,

Sarita Yadav, Ravinder Pawar

et al.

The Chemical Record, Journal Year: 2024, Volume and Issue: 24(8)

Published: July 12, 2024

Carbon-based allotropes are propelling a technological revolution in communication, sensing, and computing, concurrently challenging fundamental theories of the previous century. Nevertheless, demand for advanced carbon-based materials remains substantial. The crux lies efficient reliable engineering novel carbon allotrope. Although C

Language: Английский

Citations

0