The carbon tetrafluoride molecule possesses four fundamental modes of vibration and in one of these the C-F distances do not alter. The change δE in the total energy of the molecule in this special type of displacement is given by
δE=8π
2m
Fγ
02ν
22θ
2Where ν
2 is the freguency of the vibration, m
F the mass of the F-atom, γ
0 the C-F distance and 2θ a small change in the F-C-F angle.
We have calculated δE under the assumptions that the electronic state of the molecule is given by the hybrid of the covalent and the single ionic structure (C
+F
-F
3).
In the course of calculation Slater atomic orbitals are used and several simplifying approximations are made for the evaluation of molecular integrals and nonorthogonalities. The calculated value of δE is 36.67θ
2e. v., which is in good agreement with the observed value 49.3θ
2e. v.
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