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The aim is to understand the solvation of small molecules by studying deuterated HCl dihydrate clusters.

January 24, 2026Open Access

Microwave spectroscopy of partially and fully deuterated HCl dihydrate clusters

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The aim is to understand the solvation of small molecules by studying deuterated HCl dihydrate clusters.
Identified 12 new partially and fully deuterated isotopologues using chirped-pulse Fourier transform microwave spectroscopy.
Conducted high-level ab initio calculations to investigate cluster structure and dynamics.
Analyzed spectroscopic splittings caused by population of multiple vibration-tunneling levels.
Confirmed theoretical predictions regarding hydrogen atom permutations via tunneling motions.
Provided evidence for concerted large-amplitude movements of atoms in the cluster.
Indicated that Cl–H⋯O hydrogen bond character may be slightly affected by isotopic substitution.

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Identifies new isotopologues of HCl dihydrate clusters, revealing details of hydrogen tunneling motions.

Bhujel et al. (2025) studied this question.

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