# Nuclear quadrupole coupling tensors of $^2H$ in the α-alum $RbAl(SO_4)_2·12D_2O$ and the dynamical behaviour of the $D_2O$ molecules. An investigation by NMR and IR

Ramakrishna, J and Weiden, N and Weiss, A (1990) Nuclear quadrupole coupling tensors of $^2H$ in the α-alum $RbAl(SO_4)_2·12D_2O$ and the dynamical behaviour of the $D_2O$ molecules. An investigation by NMR and IR. In: Xth International Symposium on NQR Spectroscopy, 22-26 Aug. 1989, Takayama, Japan, pp. 511-518.

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## Abstract

By single crystal NMR the nuclear quadrupole coupling constants $eQ\phi_{zz} h^{-1} (2_H)$, the asymmetry parameters $η(2_H)$ and the direction cosines of the principal axes of the electric field gradient tensors of the $2_H$ atoms of the two kinds of $D_2O$ molecules have been determined at 295 K in $RbAl(SO_4)_2^{·12}D_2O$. The $D_2O$ molecules surrounding the ion $Al^{3+}$ are static' within the time scale of the $2_H$ nuclear quadrupole interaction while the $D_2O$ belonging to the octahedron around the Rb+ undergoes fast reorientations around the twofold molecular axis. For the two kinds of $D_2O$ in the alum the authors found: $eQ\phi_{zz}(1) h^{-1} (2_H)=186.5 kHz, η^{(1)} (2_H)=0.1234;$ $eQ\phi_{zz}^{(2)} h^{-1} (2_H)=169.7 kHz,$ $η^{(2)} (2_H)=0.1297;$ $eQ\phi_{zz}(3) h^{-1} (2_H)=122.1 kHz,$ $η^{(3)} (2_H)=0.8087.$ $eQ\phi_{zz}^{(1)}$ and $eQ\phi_{zz}^{(2)}$ belong to the static' $D_2O$ molecules and an assignment to the two different $2_H$ atoms has been performed. The IR spectra of $RbAl(SO_4)_2·12 (H_{1-x}D_x)_2O$ have been investigated, and for the O-D stretching frequencies values of $2145 cm^{-1}$, $2235 cm^{-1}$, $2470 cm^{-1}$ and $2525 cm^{-1}$ have been obtained. They agree well with the relations between $\nu^_{OD}$ and $eQ\phi_{zz} h^{-1} (2_H)$ given in the literature

Item Type: Conference Paper Copyright of this article belongs to Verlag der Zeitschrift für Naturforschung. Division of Physical & Mathematical Sciences > Physics 17 Oct 2007 24 Jan 2012 10:06 http://eprints.iisc.ernet.in/id/eprint/11454