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15 N NMR chemical shifts of NH‐pyrazoles in the solid state and in solution at low temperature
Author(s) -
AguilarParrilla Francisco,
Männle Ferdinand,
Limbach HansHeinrich,
Elguero José,
Jagerovic Nadine
Publication year - 1994
Publication title -
magnetic resonance in chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.483
H-Index - 72
eISSN - 1097-458X
pISSN - 0749-1581
DOI - 10.1002/mrc.1260321110
Subject(s) - chemistry , tautomer , chemical shift , solid state , intermolecular force , hydrogen bond , solid state nuclear magnetic resonance , hydrogen , computational chemistry , crystallography , molecule , stereochemistry , organic chemistry , nuclear magnetic resonance , physics
Abstract The 15 N chemical shifts of thirteen NH‐pyrazoles in the solid state and of seven NH‐pyrazoles in [ 2 H 8 ] THF solution at 170–175 K (with frozen annular tautomerism) are reported. The solid‐state values are discussed using an additive model. The differences in chemical shifts between the solid state and solution are due to the different intermolecular hydrogen bonds present in the various environments.