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Updated: Jun 28, 2025

Using a Cyclic Ion Mobility Spectrometer for Tandem Ion Mobility Experiments
Published on: January 20, 2022
Intra-host π-π interactions in crown ether complexes revealed by cryogenic ion mobility-mass spectrometry
Ryosuke Ito1, Keijiro Ohshimo1, Fuminori Misaizu1
1Department of Chemistry, Graduate School of Science, Tohoku University, Sendai 980-8578, Japan. ohshimo@tohoku.ac.jp.
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.
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