Nuclear quadrupole resonance of 2D and 17O in ices V, VI, VIII, and IX

D. T. Edmonds, S. D. Goren, A. A.L. White, W. F. Sherman

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34 Scopus citations

Abstract

Using double nuclear resonance with spin mixing by level crossing (DRLC) and by continuous coupling (DRCC) the nuclear quadrupole resonance of 17O and 2D has been measured as a function of isotopic enrichment in the high-pressure ice forms Ice V, Ice VI, Ice VIII, and Ice IX. The deuteron quadrupole coupling constant is a sensitive probe of slight structure changes. In Ice VIII there is only one site, in Ice IX three unique sites are detected, and in Ice V and Ice VI an unresolved complicated spectrum is obtained. Quadrupole coupling constants that span all the deuterons in the various ice forms are V e2qQ h = 223 + 4 kHz, η = 0.11 ± 0.02, VI e2qQ h = 227 ± 10 kHz, η < 0.20, VIII e2qQ h = 236.2 ± 0.3 kHz, η = 0.102 ± 0.005, IX e2qQ h = 220 ± 3 kHz, η = 0.12 ± 0.03, There is a good linear correlation between ( e2qQ h) and the square of the OD stretching frequency νOD (HDO) and with the O-D bond length. The 17O quadrupole coupling constants are much less sensitive to structure changes. The values obtained were V e2qQ h = 6983 ± 10 kHz, η = 0.865 ± 0.007, VI e2qQ h = 6970 ± 80 kHz, η = 0.90 ± 0.02, VIII e2qQ h = 7140 ± 100 kHz, η = 0.97 ± 0.03, IX e21Q h = 6766 ± 10 kHz, η= 0.896 ± 0.007.

Original languageEnglish
Pages (from-to)35-44
Number of pages10
JournalJournal of Magnetic Resonance (1969)
Volume27
Issue number1
DOIs
StatePublished - 1 Jan 1977
Externally publishedYes

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