ArticleCommunications chemistry2024
On the similar spectral manifestations of protonic and hydridic hydrogen bonds despite their different origin.
Article in Communications chemistry, 2024. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 5 papers.
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5 citing papers in PubMed.
- Beyond a single structure: complementary IR and NMR signatures of multi-minima noncovalent binding.Chemical science · 2026Article
- Blue-Shifting Hydridic Hydrogen Bonds in Complexes of (MeThe journal of physical chemistry. A · 2025Article
- Naming Matters: Hydridic Hydrogen Atoms are Halogen, Chalcogen, and Pnictogen Bond Acceptors not "Hydridic Hydrogen Bond" Donors.Chemistry (Weinheim an der Bergstrasse, Germany) · 2025Article
- Beyond Deshielding: NMR Evidence of Shielding in Hydridic and Protonic Hydrogen Bonds.Journal of chemical theory and computation · 2025Article
- Taxonomy of Chemical Bondings: Opportunities and Challenges.Angewandte Chemie (International ed. in English) · 2025Article
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3 authors.
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Abstract
Previously studied complexes with protonic and hydridic hydrogen bonds exhibit significant similarities. The present study provides a detailed investigation of the structure, stabilization, electronic properties, and spectral characteristics of protonic and hydridic hydrogen bonds using low-temperature infrared (IR) spectroscopy and computational methods. Complexes of pentafluorobenzene with ammonia (C₆F₅H⋯NH₃) and triethylgermane with trifluoroiodomethane (Et₃GeH⋯ICF₃) were analyzed using both experimental and computational tools. Additionally, 30 complexes with protonic hydrogen bonds and 30 complexes with hydridic hydrogen bonds were studied computationally. Our findings reveal that, despite the opposite atomic charges on the hydrogens in these hydrogen bonds, and consequently the opposite directions of electron transfer in protonic and hydridic hydrogen bonds, their spectral manifestations - specifically, the red shifts in the X-H stretching frequency and the increase in intensity - are remarkably similar. The study also discusses the limitations of the current IUPAC definition of hydrogen bonding in covering both types of H-bonds and suggests a way to overcome these limitations.
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