{s}-Character of MX₄ (M=C, Si, Ge, X=F, Cl, Br, I) Molecules

Abstract

Chemical bonding states for a series of MX₄ (M=C, Si, Ge, X=F, Cl, Br, I) molecules have been studied with use of self-consistent-charge-Xα calculations. The results show that the s-character, s/(s+p) of the sp³-hybridized orbitals of M atoms changes every MX₄ molecules, to which the electronegativity of the M-sp³ orbitals is in a linear relationship. These findings assist to understand chemical bonding features which are inherent in these quadricovalent molecules.