Temperature Dependence of the Nuclear Quadrupole Resonance Frequency of 35Cl in KClO3 between 12° and 90°K

Abstract

A precise measurement of the temperature dependence of the NQR frequency of 35Cl in KClO3 has been made at constant pressure in the range 12°—90°K. Analysis using the Bayer—Kushida theory predicts lattice modes at 60 and 126 cm−1. A comparison is made with the Raman spectrum.

35 Cl Nuclear Quadrupole Resonance Studies of Molecular Motions of the CIO3− Ion in RbCIO3

“…If a molecule or a group of atoms librates about an n-fold symmetry axis, where n is equivalent to the number of potential minima, the frequency of librations v: in the harmonic approximation can be determined from [25] n where E, is the activation energy for the hindered rotation of the relevant molecule or atomic group, and I is the corresponding moment of inertia. kg m2 [26], and E, determined by us in this work equals to 44.3 kJ mol-'. Having performed the above-described calculations we get v: = v :, = 2.36 x 10" s-' (= 78.55 cm-'), 7; = 6.74 x s, and qk,/qZz = 1.63 x As follows from the above estimation, the modulated part of EFG on the resonating chlorine nuclei, due to the rotating ClO; groups makes up slightly less than 0.2% of the total EFG value.…”

Experimental implementation of quantum information processing by Zeeman-perturbed nuclear quadrupole resonance

“…The deviations from the expected results can be mainly attributed to the RF amplitude inhomogeneity, since, in order to reach a good filling factor, the sample extended itself until the edges of the RF coil. NQR is also very sensitive to the sample temperature, where the quadrupole transition frequencies variations can be of the order of kHz per kelvin [18]. Therefore, small variations in the sample temperature are responsible for off-resonance pulse imperfections.…”

LVI. Nuclear quadrupole resonance spectroscopy. Part Three. Pulse methods; chemical applications

“…Bayer (53) treated this as a problem in simple harmonic motion; for a rigid molecule undergoing hindered rotation about one moment-ofinertia axis coincident (say) with the principal i-axis of the electric field gradient, he deduced the equation: Chemical Instrumentation torsional mode and I x is a constant characteristic of each mode, and equaling the moment of inertia for a hindered rotation. Similar expressions hold for hindered rotations about the other two axes.…”