ArticleThe journal of physical chemistry. B2017
Solvent-Independent Anharmonicity for Carbonyl Oscillators.
Article in The journal of physical chemistry. B, 2017. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 17 papers.
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Who cites it
17 citing papers in PubMed.
- Far-field single-molecule vibrational spectroscopy and imaging.Chemical science · 2026Review
- Hot Ground State Cooling Following Ultrafast Photoisomerization: Time-Resolved Infrared Spectroscopy.The journal of physical chemistry. B · 2025Article
- Two-dimensional bond-selective fluorescence spectroscopy: violations of the resonance condition, vibrational cooling rate dispersion, and super-multiplex imaging.Chemical science · 2025Article
- Environment- and Conformation-Induced Frequency Shifts of C-D Vibrational Stark Probes in NAD(P)H Cofactors.The journal of physical chemistry letters · 2024Article
- Atomic-force-microscopy-based time-domain two-dimensional infrared nanospectroscopy.Nature nanotechnology · 2024Article
- Enhanced active-site electric field accelerates enzyme catalysis.Nature chemistry · 2023Article
- An Evaluation of Maximum Determination Methods for Center Line Slope Analysis.The journal of physical chemistry. B · 2023Article
- Solvent Organization and Electrostatics Tuned by Solute Electronic Structure: Amide versus Non-Amide Carbonyls.The journal of physical chemistry. B · 2022Article
- The Interplay of Electrostatics and Chemical Positioning in the Evolution of Antibiotic Resistance in TEM β-Lactamases.ACS central science · 2021Article
- Probing the Hydrogen-Bonding Environment of Individual Bases in DNA Duplexes with Isotope-Edited Infrared Spectroscopy.The journal of physical chemistry. B · 2021Article
- Testing the Limitations of MD-Based Local Electric Fields Using the Vibrational Stark Effect in Solution: Penicillin G as a Test Case.The journal of physical chemistry. B · 2021Article
- Needles in a haystack: H-bonding in an optogenetic protein observed with isotope labeling and 2D-IR spectroscopy.Physical chemistry chemical physics : PCCP · 2021Article
- Biosynthetic Incorporation of Site-Specific Isotopes in β-Lactam Antibiotics Enables Biophysical Studies.ACS chemical biology · 2020Article
- Unified Model for Photophysical and Electro-Optical Properties of Green Fluorescent Proteins.Journal of the American Chemical Society · 2019Article
- Ultrafast photoactivation of C─H bonds inside water-soluble nanocages.Science advances · 2019Article
- New Insights into Quinine-DNA Binding Using Raman Spectroscopy and Molecular Dynamics Simulations.The journal of physical chemistry. B · 2018Article
- Electric Fields and Enzyme Catalysis.Annual review of biochemistry · 2017Review
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Authors and funding
4 authors.
Funding
Abstract
The physical origins of vibrational frequency shifts have been extensively studied in order to understand noncovalent intermolecular interactions in the condensed phase. In the case of carbonyls, vibrational solvatochromism, MD simulations, and vibrational Stark spectroscopy suggest that the frequency shifts observed in simple solvents arise predominately from the environment's electric field due to the vibrational Stark effect. This is contrary to many previously invoked descriptions of vibrational frequency shifts, such as bond polarization, whereby the bond's force constant and/or partial nuclear charges are altered due to the environment, often illustrated in terms of favored resonance structures. Here we test these hypotheses using vibrational solvatochromism as measured using 2D IR to assess the solvent dependence of the bond anharmonicity. These results indicate that the carbonyl bond's anharmonicity is independent of solvent as tested using hexanes, DMSO, and D
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