Solvent assisted proton transfer processes in phenol–amine complexes revealed in effective dipole moments

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出版日 2001-11-26

DOI 10.1039/B104409P

インパクトファクター 3.676

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要旨

The dipole moment of the 4-nitrophenol–tri-n-butylamine (PNP·TBA) adduct of the 1∶1 stoichiometry was studied in tetrachloroethylene, chloroform and 1,2-dibromoethane as a function of temperature. Based on the results obtained, the thermodynamic parameters for the O–H⋯N ⇆ O−⋯H–N+ proton transfer (PT) reaction were evaluated. The solvent effect on ΔGPT○, ΔHPT○ and ΔSPT○ is discussed in terms of two contributions. The short range solvation results from a specific direct interaction between the adduct and solvent molecules. The second solvation contribution can be ascribed to a non-specific long range bulk dielectric permittivity effect (reaction field effect). By using heterogeneous models of dielectric medium as well as empirical solvent parameters an attempt was undertaken to analyse quantitatively the solvent effect on thermodynamics of proton transfer.

掲載誌

Physical Chemistry Chemical Physics

CiteScore: 5.5

自己引用率: 10.3%

年間論文数: 3036

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.

Solvent assisted proton transfer processes in phenol–amine complexes revealed in effective dipole moments

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