Explanation of irregular trend in19F* (I=5/2) nuclear quadrupole interaction in CF4, SiF4, and GeF4 |
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| Authors: | K C Mishra A Coker P Kelires S K Mishra T P Das W Kreische G Böhnlein H Barfuss K Bonde Nielsen |
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| Institution: | (1) Department of Physics, State University of New York, 12222 Albany, New York, USA;(2) Physikalisches Institut der Universität Erlangen-Nürnberg, D 8520 Erlangen, FRG;(3) Institute of Physics, University of Aarhus, DK 8000 Aarhus C, Denmark |
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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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