Fine structure in the pure quadrupole resonance of oxygen-17 in Ba(ClO/sub 3/)/sub 2/xH/sub 2//sup 17/O by nuclear double resonance
A technique of double resonance in the laboratory frame is applied for the measurement of the pure quadrupole resonances of oxygen-17 in polycrystalline Ba(ClO/sub 3/)/sub 2/xH/sub 2/ /sup 17/O at 77/sup 0/K. The spectrum comprises three frequency bands displaying fine structure that is interpreted in terms of the intramolecular dipolar interactions within the hydration water molecule. The experimental results are compared with theoretical spectra calculated for various geometries of the water molecule and relative orientations of the quadrupolar and dipolar interactions. It is not possible to obtain a complete agreement between the calculated and experimental spectra, since apparently not all predicted lines show experimentally. It is suggested that the transitions involving triplet eigenstates of the proton--proton dipolar interaction are not observed, presumably due to excessive line broadening. Based on this assumption a good fit with the experimental spectrum is obtained with the following parameters: e/sup 2/qQ/h (/sup 17/O) = (-7.61 +- 0.01)MHz, eta=0.94 +- 0.01, proton--oxygen distance R/sub OH/= (0.99 +- 0.02) A, and the HOH angle 2theta=110/sup 0/ +- 2/sup 0/. These results are discussed in terms of the electronic and geometric structure of the hydration water molecule. (AIP)
- Research Organization:
- Isotope Department, The Weizmann Institute of Science, Rehovot, Israel
- OSTI ID:
- 7347455
- Journal Information:
- J. Chem. Phys.; (United States), Vol. 65:9
- Country of Publication:
- United States
- Language:
- English
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Related Subjects
ORGANIC
PHYSICAL AND ANALYTICAL CHEMISTRY
OXYGEN 17
ISOTOPE EFFECTS
BARIUM COMPOUNDS
CHLORATES
NUCLEAR QUADRUPOLE RESONANCE
ALKALINE EARTH METAL COMPOUNDS
CHLORINE COMPOUNDS
EVEN-ODD NUCLEI
HALOGEN COMPOUNDS
ISOTOPES
LIGHT NUCLEI
NUCLEI
OXYGEN COMPOUNDS
OXYGEN ISOTOPES
RESONANCE
STABLE ISOTOPES
400202* - Isotope Effects
Isotope Exchange
& Isotope Separation