TY - JOUR
T1 - Nuclear quadrupole resonance of 2D and 17O in ices V, VI, VIII, and IX
AU - Edmonds, D. T.
AU - Goren, S. D.
AU - White, A. A.L.
AU - Sherman, W. F.
PY - 1977/1/1
Y1 - 1977/1/1
N2 - 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.
AB - 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.
UR - http://www.scopus.com/inward/record.url?scp=0002051225&partnerID=8YFLogxK
U2 - 10.1016/0022-2364(77)90191-3
DO - 10.1016/0022-2364(77)90191-3
M3 - Article
AN - SCOPUS:0002051225
SN - 0022-2364
VL - 27
SP - 35
EP - 44
JO - Journal of Magnetic Resonance (1969)
JF - Journal of Magnetic Resonance (1969)
IS - 1
ER -