Experimental confirmation of the Badger-Bauer rule in the protonated methanol clusters: weak hydrogen bond formation as a measure of terminal OH acidity in hydrogen bond networks

Takeru Kato; Asuka Fujii

doi:10.1039/d3cp04644c

Experimental confirmation of the Badger-Bauer rule in the protonated methanol clusters: weak hydrogen bond formation as a measure of terminal OH acidity in hydrogen bond networks

Phys Chem Chem Phys. 2023 Nov 15;25(44):30188-30192. doi: 10.1039/d3cp04644c.

Authors

Takeru Kato¹, Asuka Fujii¹

Affiliation

¹ Department of Chemistry, Graduate School of Science, Tohoku University, Sendai 980-8578, Japan. asuka.fujii.c5@tohoku.ac.jp.

PMID: 37920966
DOI: 10.1039/d3cp04644c

Abstract

We report a linear correlation between the OH stretch frequency shift of the protonated methanol cluster, H⁺(MeOH)_n, upon the π-hydrogen bond formation with benzene and the enthalpy change in clustering of H⁺(MeOH)_n to H⁺(MeOH)_n+1. This result suggests a new method to explore hydrogen bond strength in hydrogen bond networks.