Autor: |
Hwa Suck Cho, Christine H. Russell, M. Frank, W. Kreische, Sudha Srinivas, Ranjit Pati, K. Bonde Nielsen, G. Gowri, T. P. Das, Tina Briere |
Rok vydání: |
1995 |
Předmět: |
|
Zdroj: |
Hyperfine Interactions. 96:213-221 |
ISSN: |
1572-9540 |
Popis: |
Using the Hartree-Fock-Roothaan procedure the nuclear quadrupole interactions of the19F (spin 5/2) nucleus in CF4, SiF4 and GeF4 are studied. The theoretical results explain within 10% the observed experimental measurements by the time-differential perturbed angular distribution technique, including the important feature of sharp decrease of the19F* nuclear quadrupole coupling constant in going from CF4 to SiF4, followed by an increase in going to GeF4, while a simple consideration of the ionic characters of the C-F, Si-F and Ge-F bonds together with Townes and Dailey theory would lead to a continuous decrease from CF4 to GeF4. The dependence of the results on the choice of basis sets and the role of many-body effects is discussed. |
Databáze: |
OpenAIRE |
Externí odkaz: |
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