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The activation energy of CCl3 group reorientation motion in crystals estimated from the NQR data

  • Structure of Matter and Quantum Chemistry
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Abstract

The possibility of estimating the activation energy E a of reorientation of symmetrical atomic groups containing quadrupole nuclei from nuclear quadrupole resonance data was studied. The estimates can be obtained using simple semiempirical equations relating the E a value to the characteristic temperature selected in some general way for different compounds; the measured NQR parameters are determined at this temperature by reorientation motion. The temperature at which the spin-lattice relaxation time of a moving quadrupole nucleus is 1 ms and the fade out temperature of the NQR signal for the group that experiences reorientation (fading is related to the maximum measurable width of resonance lines) were tested as characteristic temperatures. The 35Cl NQR data on 70 reorienting CCl3 groups were analyzed to obtain quantitative relations of the E a = CT char type that described the reorientations of these groups in solids. Some corollaries to the equations obtained are discussed.

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Authors and Affiliations

  1. Perm State University, ul. Bukireva 15, Perm, 614600, Russia

    I. A. Kyuntsel’ & V. A. Mokeeva

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  1. I. A. Kyuntsel’
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  2. V. A. Mokeeva
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Original Russian Text © I.A. Kyuntsel’, V.A. Mokeeva, 2007, published in Zhurnal Fizicheskoi Khimii, 2007, Vol. 81, No. 6, pp. 1064–1069.

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Kyuntsel’, I.A., Mokeeva, V.A. The activation energy of CCl3 group reorientation motion in crystals estimated from the NQR data. Russ. J. Phys. Chem. 81, 929–934 (2007). https://doi.org/10.1134/S0036024407060167

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  • DOI: https://doi.org/10.1134/S0036024407060167

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