So far we have only considered which AOs are required for the construction of hybrid orbitals of the appropriate symmetry. We now will show how we can obtain explicit mathematical expressions for the hybrid orbitals which will allow us to see exactly how much each AO contributes. Though hybrid orbitals are most frequently used in qualitative discussions of bonding, they do have their quantitative use when one carries out an exact MO calculation and when one deals with coordination compounds, where it is often necessary to use hybrid orbitals for evaluating overlap integrals which are often related to bond strengths in these situations the explicit expressions are required. [Pg.234]

Both hybridization and molecular orbital theory (discussed in Section 3.5) involve the mixing of atomic orbitals however, the construction of hybrid orbitals involves mixing of atomic orbitals on the same atom, whereas the construction of molecular obitals involves atomic orbitals on different atoms. [Pg.241]

Molecules such as NHj and HjO etc. are described in terms of an inequivalent hybridization scheme based on sp in valence bond theory. The construction of hybridized orbitals in such molecules is different from that developed above. The tetrahedral molecule XAY3 (3) provides a useful starting point. Since the hyl is distinguished from hy2, hy3 and hy4, the symmetry-adapted linear combinations of these hybrids cannot be generated in terms of the spherical harmonic expansion in Eq. (1). But they can be derived as follows [Pg.83]

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