Intramolecular H-Bond Is Formed in 2-Fluorophenol and 2-Fluorothiophenol, but It May Not Be the Main Pathway of the JFH Coupling Constant Transmission
Volume: 123, Issue: 46, Pages: 10072 - 10078
Published: Oct 29, 2019
Abstract
The intramolecular CF···HX (X = O or S) H-bond and JFH spin–spin coupling constants (SSCCs) in 2-fluorophenol and 2-fluorothiophenol were investigated experimentally by 1H and 19F NMR and theoretically in the framework of the natural bond orbital analysis. In contrast with recent findings from the literature, the results obtained in this work showed that an intramolecular H-bond is formed in the cis conformers and that it has an electrostatic...
Paper Details
Title
Intramolecular H-Bond Is Formed in 2-Fluorophenol and 2-Fluorothiophenol, but It May Not Be the Main Pathway of the JFH Coupling Constant Transmission
Published Date
Oct 29, 2019
Volume
123
Issue
46
Pages
10072 - 10078
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