Article ID Journal Published Year Pages File Type
5406507 Journal of Magnetic Resonance 2010 6 Pages PDF
Abstract
A 2hJNN intermolecular spin-spin coupling constant (SSCC) of 10.2 ± 0.4 Hz has been measured for the powdered tetrachlorogallate salt of pyridinium solvated by pyridine (pyridine-H+⋯pyridine cation 3). Density Functional Theory (DFT) calculations at the B3LYP/6-311++G(d, p) level reproduced this value and two others reported in the literature for 2hJ intermolecular SSCCs, which were measured for complexes in solution.
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
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