Linear solvation energy relationships VIII —solvent effects on NMR spectral shifts and coupling constants | Zendy

Taft R. W. | Zendy; Kamlet Mortimer J. | Zendy

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Linear solvation energy relationships VIII —solvent effects on NMR spectral shifts and coupling constants

Author(s) -

Taft R. W.,

Kamlet Mortimer J.

Publication year - 1980

Publication title -

organic magnetic resonance

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 0.483

H-Index - 72

eISSN - 1097-458X

pISSN - 0030-4921

DOI - 10.1002/mrc.1270140612

Subject(s) - solvatochromism , solvation , chemistry , coupling constant , chemical shift , solvent , chloroform , pyridine , solvent effects , hydrogen bond , proton nmr , acetone , computational chemistry , molecule , stereochemistry , organic chemistry , physics , particle physics

The solvatochromic comparison method is used to unravel solvent polarity and hydrogen bonding effects on a variety of NMR spectral shifts and coupling constants. Solvent effects are rationalized in terms of the solvatochromic parameters π*, δ, α and β. Properties analyzed include 19 F shifts of 5‐fluoroindole, 1 H shifts of fluorodinitromethane, tert ‐butanol, phenol, 2‐methylbut‐1‐en‐3‐yne, and thioacetamide, 1 H and 13 C shifts and J ( 13 C 1 H) coupling constants of chloroform, 13 C shifts of acetone, 15 N shifts of pyridine, 15 N and 29 Si shifts of 1‐methylsilatrane, and some J ( 119 Sn,C, 19 F) coupling constants of polyalkyltin compounds.

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