Synthesis and Photophysical Properties of Small Helical Carbon Nanohoops Combined with Computational Studies on Racemization Pathway DOI

Zhuping Chu,

Hengxin Liu,

Tianlu Wu

et al.

ChemPlusChem, Journal Year: 2024, Volume and Issue: 89(11)

Published: July 18, 2024

Abstract We herein report the facile synthesis of two helical carbon nanorings with small ring sizes, cyclo[6]paraphenylene‐1,5‐naphthylene ( [6]CPPNap 1,5 ), and cyclo[6]paraphenylene‐1,5‐anthrylene [6]CPPAn ). The structures were determined by NMR HR‐MS. X‐ray single‐crystal data was also achieved. strain energy racemization processes investigated DFT calculations. reduced sizes result in increased elevated barriers. photophysical properties studied UV‐Vis absorption, fluorescence emission, time‐resolved decay.

Language: Английский

DFT insights into assembling [8]MCPP with [14]pyridine nanobelts for amino acid sensing DOI
Ahmed Al‐Omari

Journal of Molecular Graphics and Modelling, Journal Year: 2025, Volume and Issue: unknown, P. 109056 - 109056

Published: April 1, 2025

Language: Английский

Citations

0

Key-to-Lock Halogen Bond-Based Tetragonal Pyramidal Association of Iodonium Cations with the Lacune Rims of Beta-Octamolybdate DOI Creative Commons
Natalia S. Soldatova, Amirbek D. Radzhabov, Daniil M. Ivanov

et al.

Published: March 12, 2024

The structure-directing “key-to-lock” interaction of double -(I(III))-hole donating iodonium cations with the O-flanked pseudo-lacune rims [β-Mo8O26]4– gives halogen-bonded iodonium–beta-octamolybate supramolecular associates. In occurrence their tetragonal pyramidal motifs, deep and broad -(I(III))-holes a cation recognize molybdate backbone, which provides an electronic pool localized around two lacunes. I∙∙∙O linkages in structures were thoroughly studied computationally classified as two-center, three-center bifurcated, unconventional “orthogonal” halogen bonds. latter, O-atom approaches orthogonally C–I(III)–C plane this geometry diverge from IUPAC criteria for identification bond

Language: Английский

Citations

1

Modular Synthesis of Improbable Rotaxanes with All‐Benzene Scaffolds DOI

An Bu,

Jia‐Nan Gao,

Yi‐Ming Chen

et al.

Angewandte Chemie, Journal Year: 2024, Volume and Issue: 136(18)

Published: Feb. 26, 2024

Abstract “Improbable” rotaxanes consisting of interlocked conjugated components represent non‐trivial synthetic targets, not to mention those with all‐benzene scaffolds. Herein, a modular strategy has been established using an isolable azo‐linked pre‐rotaxane as the core module, in which azo group functions tracelessly removable template direct mechanical bond formations. Through versatile connections and other customizable modules, [2]‐ [3]rotaxanes derived from scaffolds have accomplished, demonstrating utility potential design for supramolecules.

Language: Английский

Citations

0

A Conjugated Phenylene Nanocage with a Guest‐Adaptive Deformable Cavity DOI
Jingxuan Yang,

Liang‐Liang Mao,

Hongyan Xiao

et al.

Angewandte Chemie, Journal Year: 2024, Volume and Issue: 136(20)

Published: Feb. 29, 2024

Abstract The highly strained, phenylene‐derived organic cages are typically regarded as very rigid entities, yet their deformation potential and supramolecular properties remain underexplored. Herein, we report a pliable conjugated phenylene nanocage by synergistically merging flexible building blocks. anisotropic cage molecule contains branched chains capped calix[6]arene moiety, the delicate conformational changes of which endow with remarkably deformable cavity. When complexing fullerene guests, showcases excellent guest‐adaptivity, its cavity volume capable swelling much 85 %.

Language: Английский

Citations

0

Synthesis and Photophysical Properties of Small Helical Carbon Nanohoops Combined with Computational Studies on Racemization Pathway DOI

Zhuping Chu,

Hengxin Liu,

Tianlu Wu

et al.

ChemPlusChem, Journal Year: 2024, Volume and Issue: 89(11)

Published: July 18, 2024

Abstract We herein report the facile synthesis of two helical carbon nanorings with small ring sizes, cyclo[6]paraphenylene‐1,5‐naphthylene ( [6]CPPNap 1,5 ), and cyclo[6]paraphenylene‐1,5‐anthrylene [6]CPPAn ). The structures were determined by NMR HR‐MS. X‐ray single‐crystal data was also achieved. strain energy racemization processes investigated DFT calculations. reduced sizes result in increased elevated barriers. photophysical properties studied UV‐Vis absorption, fluorescence emission, time‐resolved decay.

Language: Английский

Citations

0