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Explanation of irregular trend in19F* (I=5/2) nuclear quadrupole interaction in CF4, SiF4, and GeF4

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Abstract

A theoretical investigation of the electric field gradient at excited nuclei19F*(I=5/2) of the tetrafluorides CF4, SiF4, and GeF4, has been carried out using the Self-Consistent Charge Extended Hückel procedure to obtain the electronic wave functions. The values of ¦e2qQ¦ that have been obtained are 50.3, 30.4, and 36.3 MHz for CF4, SiF4, and GeF4, respectively, agreeing with the trend in recent experimental data. Physical reasons are presented for the trend, which is irregular as compared to expectations from Townes-Dailey Theory which would have predicted a continuus decrease in going from CF4 to GeF4.

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Authors and Affiliations

  1. Department of Physics, State University of New York, 12222, Albany, New York, USA

    K. C. Mishra, A. Coker, P. Kelires, S. K. Mishra, T. P. Das, W. Kreische, G. Böhnlein, H. Barfuss & K. Bonde Nielsen

  2. Physikalisches Institut der Universität Erlangen-Nürnberg, D 8520, Erlangen, FRG

    W. Kreische, G. Böhnlein & H. Barfuss

  3. Institute of Physics, University of Aarhus, DK 8000, Aarhus C, Denmark

    K. Bonde Nielsen

Authors
  1. K. C. Mishra
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  2. A. Coker
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  3. P. Kelires
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  4. S. K. Mishra
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  5. T. P. Das
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  6. W. Kreische
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  7. G. Böhnlein
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  8. H. Barfuss
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  9. K. Bonde Nielsen
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Mishra, K.C., Coker, A., Kelires, P. et al. Explanation of irregular trend in19F* (I=5/2) nuclear quadrupole interaction in CF4, SiF4, and GeF4 . Hyperfine Interact 16, 907–910 (1983). https://doi.org/10.1007/BF02147391

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