ArticleThe journal of physical chemistry. B2015
Kinetics of exchange between zero-, one-, and two-hydrogen-bonded states of methyl and ethyl acetate in methanol.
Article in The journal of physical chemistry. B, 2015. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 4 papers.
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Who cites it
4 citing papers in PubMed, 31 citations in OpenAlex.
- Machine learning potentials accurately reproduce vibrational dynamics in complex environments.The Journal of chemical physics · 2025Article
- Local Interactions in Aqueous Ethanol Solution Revealed by the C=O Stretching Probe.Molecules (Basel, Switzerland) · 2025Article
- Stoichiometric analysis of competing intermolecular hydrogen bonds using infrared spectroscopy.RSC advances · 2018Article
- Enhanced vibrational solvatochromism and spectral diffusion by electron rich substituents on small molecule silanes.The Journal of chemical physics · 2017Article
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Authors and funding
4 authors at 2 institutions in 1 country.
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Abstract
It has recently been shown that the ester carbonyl stretching vibration can be used as a sensitive probe of local electrostatic field in molecular systems. To further characterize this vibrational probe and extend its potential applications, we studied the kinetics of chemical exchange between differently hydrogen-bonded (H-bonded) ester carbonyl groups of methyl acetate (MA) and ethyl acetate (EA) in methanol. We found that, while both MA and EA can form zero, one, or two H-bonds with the solvent, the population of the 2hb state in MA is significantly smaller than that in EA. Using a combination of linear and nonlinear infrared measurements and numerical simulations, we further determined the rate constants for the exchange between these differently H-bonded states. We found that for MA the chemical exchange reaction between the two dominant states (i.e., 0hb and 1hb states) has a relaxation rate constant of 0.14 ps(-1), whereas for EA the three-state chemical exchange reaction occurs in a predominantly sequential manner with the following relaxation rate constants: 0.11 ps(-1) for exchange between 0hb and 1hb states and 0.12 ps(-1) for exchange between 1hb and 2hb states.
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