Study of interactions between Brønsted acids and triethylphosphine oxide in solution by 31P NMR: evidence for 2 : 1 species

Literature Information

Publication Date 2020-10-02
DOI 10.1039/D0CP03812A
Impact Factor 3.676
Authors

Elisabet Pires, José M. Fraile


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Abstract

The variation of the 31P chemical shift of triethylphosphine oxide in CDCl3 solution with a series of Brønsted acids at different molar ratios allows the determination of the value for the 1 : 1 species (δ1 : 1), which is much lower than the reported value at infinite dilution. This value correlates with the pKa of the acid in two zones, for acids stronger and weaker than TEPO–H+. The acid strength also controls the exchange rate in solution. The evolution of the chemical shift at high acid/TEPO molar ratios indicates the existence of a second TEPO–acid interaction, which is also dependent on the acid strength. This interaction is much more favorable in the case of a diacid, which shows chemical shift higher than expected for its pKa1 value.

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Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics
CiteScore: 5.5
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Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.

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