ArticleSensors (Basel, Switzerland)2020
A Critical Evaluation of Vibrational Stark Effect (VSE) Probes with the Local Vibrational Mode Theory.
Article in Sensors (Basel, Switzerland), 2020. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 14 papers.
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Who cites it
14 citing papers in PubMed, 45 citations in OpenAlex.
- Exploring the Copper(I)-Catalyzed Azide-Alkyne Cycloaddition: A Unified Reaction Valley Approach and Local Vibrational Mode Study.The journal of physical chemistry. A · 2026Article
- pyEF: A Python Framework for QM and QM/MM Atom-Wise Electric Field Analysis.Journal of chemical theory and computation · 2026Article
- Local Vibrational Mode Analysis of Phonon Dispersion Relations in Crystals.Journal of chemical theory and computation · 2026Article
- Magnetic Field-Driven Interface Hydroxylation via the Vibrational Stark Effect Boosts Alkaline Hydrogen Evolution Reaction.JACS Au · 2025Article
- Unraveling Hydration Shell Dynamics and Viscosity Effects Around Cyanamide Probes via 2D IR Spectroscopy.Journal of the American Chemical Society · 2025Article
- A Closer Look at the FeS Heme Bonds in Azotobacter vinelandii Bacterioferritin: QM/MM and Local Mode Analysis.Journal of computational chemistry · 2025Article
- Time-resolved THz Stark spectroscopy of molecules in solution.Nature communications · 2024Article
- Exploring Jahn-Teller distortions: a local vibrational mode perspective.Journal of molecular modeling · 2024Article
- Structural Characterization of Fluorescent Proteins Using Tunable Femtosecond Stimulated Raman Spectroscopy.International journal of molecular sciences · 2023Article
- Quantum Mechanical Assessment of Protein-Ligand Hydrogen Bond Strength Patterns: Insights from Semiempirical Tight-Binding and Local Vibrational Mode Theory.International journal of molecular sciences · 2023Article
- Dihydrogen Bonding-Seen through the Eyes of Vibrational Spectroscopy.Molecules (Basel, Switzerland) · 2022Article
- Hydrogen Bonding in Natural and Unnatural Base Pairs-A Local Vibrational Mode Study.Molecules (Basel, Switzerland) · 2021Article
- PyVibMS: a PyMOL plugin for visualizing vibrations in molecules and solids.Journal of molecular modeling · 2020Article
- Critical assessment of the FeC and CO bond strength in carboxymyoglobin: a QM/MM local vibrational mode study.Journal of molecular modeling · 2020Article
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Authors and funding
7 authors at 3 institutions in 2 countries.
Funding
Abstract
Over the past two decades, the vibrational Stark effect has become an important tool to measure and analyze the in situ electric field strength in various chemical environments with infrared spectroscopy. The underlying assumption of this effect is that the normal stretching mode of a target bond such as CO or CN of a reporter molecule (termed vibrational Stark effect probe) is localized and free from mass-coupling from other internal coordinates, so that its frequency shift directly reflects the influence of the vicinal electric field. However, the validity of this essential assumption has never been assessed. Given the fact that normal modes are generally delocalized because of mass-coupling, this analysis was overdue. Therefore, we carried out a comprehensive evaluation of 68 vibrational Stark effect probes and candidates to quantify the degree to which their target normal vibration of probe bond stretching is decoupled from local vibrations driven by other internal coordinates. The unique tool we used is the local mode analysis originally introduced by Konkoli and Cremer, in particular the decomposition of normal modes into local mode contributions. Based on our results, we recommend 31 polyatomic molecules with localized target bonds as ideal vibrational Stark effect probe candidates.
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