Heteronuclear diatomics, Chemistry

In a heteronuclear molecule a bond is build between different atoms, and the most important difference from the homonuclear case is that molecular orbitals (MOs) are no longer shared exactly between atoms. As like a molecule where each atom has just one valence atomic orbital (AO): As like would be gas-phase LiH with 2s on Li and 1s on H. When MOs are build using the LCAO approximation.

 

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the coefficients c2 and c1 are no longer equal. In LiH the two AOs differ greatly in energy, as H has a bigger ionization energy and higher electronegativity than Li. If is the AO of lower energy (i.e. of higher ionization energy or greater electronegativity;), then the bonding MO has c2>c1.

 

Posted Date: 7/23/2012 12:21:24 AM | Location : United States







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