ArticleMolecules (Basel, Switzerland)2021
Modeling of the Response of Hydrogen Bond Properties on an External Electric Field: Geometry, NMR Chemical Shift, Spin-Spin Scalar Coupling.
Article in Molecules (Basel, Switzerland), 2021. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 3 papers.
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Who cites it
3 citing papers in PubMed.
- Preparation of Gel Electrolyte for Lithium Metal Solid-State Batteries and Its Failure Behavior at Different Temperatures.Gels (Basel, Switzerland) · 2026Article
- Keep Your TEMPO Up: Nitroxide Radicals as Sensors of Intermolecular Interactions.Molecules (Basel, Switzerland) · 2024Article
- Weak, Broken, but Working-Intramolecular Hydrogen Bond in 2,2'-bipyridine.International journal of molecular sciences · 2023Article
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2 authors.
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Abstract
The response of the geometric and NMR properties of molecular systems to an external electric field has been studied theoretically in a wide field range. It has been shown that this adduct under field approach can be used to model the geometric and spectral changes experienced by molecular systems in polar media if the system in question has one and only one bond, the polarizability of which significantly exceeds the polarizability of other bonds. If this requirement is met, then it becomes possible to model even extreme cases, for example, proton dissociation in hydrogen halides. This requirement is fulfilled for many complexes with one hydrogen bond. For such complexes, this approach can be used to facilitate a detailed analysis of spectral changes associated with geometric changes in the hydrogen bond. For example, in hydrogen-bonded complexes of isocyanide C≡
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