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1 H 17 O nuclear quadrupole double resonance in phenylphosphinic acid and phenylphosphonic acid. 17 O quadrupole coupling in P = O and POH bonds
Author(s) -
Seliger J.,
Žagar V.
Publication year - 2008
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.2296
Subject(s) - chemistry , quadrupole , electric field gradient , nuclear quadrupole resonance , coupling constant , resonance (particle physics) , hydrogen bond , nuclear magnetic resonance , analytical chemistry (journal) , crystallography , atomic physics , molecule , physics , organic chemistry , particle physics
The 17 O nuclear quadrupole resonance (NQR) frequencies have been measured in phenylphosphinic acid and phenylphosphonic acid using nuclear quadrupole double resonance. The quadrupole coupling constants have been determined with an uncertainty of ± 10 kHz and the asymmetry parameter η with an uncertainty of ± 0.01. The results are compared to the published results of the theoretical calculation and the high‐field solid‐state NMR measurements. The position of hydrogen in the OH···O hydrogen bond in phenylphosphinic acid has also been determined. On the basis of the present and the previously published data we show that the principal values of the electric‐field‐gradient tensor in P O and POH bonds correlate. A correlation between the nuclear quadrupole parameters and the length of the PO bond is also observed. Copyright © 2008 John Wiley & Sons, Ltd.