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Abstract:
The equilibrium Si–F bond length in SiF4 has been calculated ab initio at the MP2 and CCSD(T) levels using a polarized valence quadruple ζ basis set. The re structure has been also estimated using two different approximate methods to correct the ground state rotational constant B0 reported by Jörissen et al. [L. Jörissen, H. Prinz, W.A. Kreiner, Ch. Wenger, G. Pierre, G. Magerl, W. Schupita, Can. J. Phys. 67 (1989) 532]. The re(Si–F) values obtained from these different methods are in a narrow range 1.5516–1.5529 Å and the mean value is 1.5524±0.0008 Å.
