Read e-book online Absorption Spectra and Chemical Bonding in Complexes PDF

By C. K. Jorgensen

ISBN-10: 0080096271

ISBN-13: 9780080096278

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Sample text

10), if the interelectronic repulsion energy is added* as k& to E, and suitable units chosen: * Eqn. (39) is often illustrated in text-books by the particular example of a two-electron system (such as helium) having two hydrogenic ls-electrons with the effective charge (eqn. 6), where the orbital energy of each electron is Z% — TL^Z and the interelectronic repulsion energy J Z # in Rydberg units. By minimizing2 this expression respect rZ 2 ttohe Ζ φ, it is found Ζ φ = Ζ — Ί\ T n with u s and Ε = —2Z + f Z — flfe> f° = > energy calculated is -5-696 ry, in fair agreement with the observed value of —5-807.

L < 21) (13) terminating at the highest L-value possible by simple addition of the two equal /-values. According to a proposal by Mulliken, we shall use capital letters for the quantum numbers of systems and small letters for the quantum numbers of orbitals. If at least three electrons occur in a partly filled shell, more than one multiplet term may have the same combination of L and S. 3 4 2 2 3 This is not effective for p (having the terms S , D and P), but d 2 4 4 2 2 2 2 has two terms D in addition to the terms F , P , P, F , G and H .

Neither does a given orbital φ necessarily have a well-defined Ιλ even though it has a definite y n. O. description of covalent bonding is that the orbitals of different atoms with the same y n are intermixed. If only the bonding orbitals of lower energy formed are filled, while the anti-bonding orbitals are partly or completely empty, a contribution to stabilization of the molecule is obtained. FIG. 2. The co-ordinate system to be used for octahedral complexes. One ρ and two d orbitals of the central atom M are indicated, and also two of the linear combinations of the ligands' orbitals from Table 4.

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Absorption Spectra and Chemical Bonding in Complexes by C. K. Jorgensen

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