Structures and Energetics of Protonated Bipyridine-Cucurbituril Complex Isomers in the Gas Phase

Doui Kim; Jongcheol Seo

doi:10.1039/d5cp02677f

January 1, 2025Physical Chemistry Chemical Physics

Structures and Energetics of Protonated Bipyridine-Cucurbituril Complex Isomers in the Gas Phase

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Key Points

Protonated bipyridine-cucurbituril complexes display significant isomerism, influencing stabilizing interactions in the gas phase.
Key findings indicate distinct stability levels across different bipyridine regioisomers, affecting host-guest dynamics.
Assessment used quantum chemical calculations to evaluate energetics of host-guest interactions in analyzed complexes.
Understanding these molecular structures may enhance insights into supramolecular chemistry applications.

Implication

Analysis reveals isomer stability and energetics in gas-phase complexes with cucurbiturils, suggesting new molecular interactions.

Abstract

We investigated the gas-phase isomerism and stability of host-guest complexes formed between cucurbiturils (CB[6] and CB[7]) and three n , n ′-bipyridine regioisomers ( n = 2, 3, and 4), focusing on how molecular...

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Cite This Study

Kim et al. (2025) studied this question.

synapsesocial.com/papers/68af5f07ad7bf08b1eae1646 https://doi.org/10.1039/d5cp02677f

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Structures and Energetics of Protonated Bipyridine-Cucurbituril Complex Isomers in the Gas Phase

Key Points

Implication

Abstract

Discussion

Cite This Study

Structures and Energetics of Protonated Bipyridine-Cucurbituril Complex Isomers in the Gas Phase

Key Points

Implication

Abstract

Discussion

Cite This Study

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