Issue 16, 2024

Intra-host π–π interactions in crown ether complexes revealed by cryogenic ion mobility-mass spectrometry

Abstract

Cryogenic ion mobility-mass spectrometry was performed to investigate the relative abundance of conformers of dinaphtho-24-crown-8 (DN24C8) complexes with alkali metal cations M+ (M = Li, Na, K, Rb, and Cs). The “closed” conformers of M+(DN24C8) with short distances between two naphthalene rings in the crown ethers were predominantly observed for all complexes at 86 K. The two noncovalent interactions, host–guest and intra-host interactions, were analyzed separately by density functional theory calculations to reveal the origin of the stability of the closed conformers. As a result, it was revealed that the intra-host π–π interactions have a more critical role in determining the stability of the conformers than the host–guest interactions. The closed conformers of M+(DN24C8) also have wider regions of the π–π interactions than those of the M+(dibenzo-24-crown-8) complexes.

Graphical abstract: Intra-host π–π interactions in crown ether complexes revealed by cryogenic ion mobility-mass spectrometry

Supplementary files

Article information

Article type
Paper
Submitted
27 feb 2024
Accepted
05 apr 2024
First published
08 apr 2024
This article is Open Access
Creative Commons BY license

Phys. Chem. Chem. Phys., 2024,26, 12537-12544

Intra-host π–π interactions in crown ether complexes revealed by cryogenic ion mobility-mass spectrometry

R. Ito, K. Ohshimo and F. Misaizu, Phys. Chem. Chem. Phys., 2024, 26, 12537 DOI: 10.1039/D4CP00835A

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