期刊
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
卷 135, 期 27, 页码 9976-9979出版社
AMER CHEMICAL SOC
DOI: 10.1021/ja402566w
关键词
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资金
- EPSRC [EP/H021620-1]
- Pfizer Ltd.
- School of Chemistry
- EPSRC [EP/H021620/1] Funding Source: UKRI
- Engineering and Physical Sciences Research Council [EP/H021620/1] Funding Source: researchfish
Solvent effects are implicated as playing a major role in modulating electrostatic interactions via through-space and polarization effects, but these phenomena are often hard to dissect. By using synthetic molecular torsion balances and a simple explicit solvation model, we demonstrate that the solvation of substituents substantially affects the electrostatic potential of aromatic rings. Although polarization effects are important, we show that a simple additive through-space model also provides a reasonable account of the experimental data. The results deliver insights into solvent structure and might contribute to the development of computationally inexpensive solvent models.
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