Nuclear quadrupole resonance in 2,4-dinitrochlorobenzene |
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Authors: | Carlos Mattea Aldo H. Brunetti |
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Affiliation: | Facultad de Matemática, Astronomía y Física, Universidad Nacional de Córdoba, Ciudad Universitaria, 5000, Córdoba, Argentina |
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Abstract: | A study of the spin lattice relaxation (T1) and the nuclear quadrupole resonance frequency (νQ) gives an important information about the dynamics of molecular groups in molecular solids. In the present paper, we analyze the contributions of the reorientational motion of nitro groups of 2,4-dinitrochlorobenzene to the NQR parameters of the chlorine nucleus in the molecule. We found two contributions to T1 and νQ due to the onset of the reorientation of nitro groups in the molecule; one of these contributions is mostly due to intermolecular effects in the crystal. For the chlorine nuclei, the efficiency of the modulation mechanism is usually provided by the change of the electric field gradient due to the moving molecular group; this gives us a way of how to assign each contribution to T1 from the ortho and para positions of the NO2 groups in the molecule. It is observed that there are two different potential barriers depending on the position of the nitro groups in the molecule. The behavior in the temperature dependence of the line width shows a thermal history dependence of the molecular crystal. |
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Keywords: | Molecular crystals Molecular groups Reorientation Nitrobenzene NQR |
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