3d-p hybridization

Mean-field description of the exchange 7.2.6. Effects of the 3d-p hybridization 391... 

Theoretical energy curves for one-electron bonds between two atoms are calculated for bond orbitals formed by hybridization of 2s and 2p orbitals, 35 and 3 orbitals, and 35, 3p, and 3d orbitals, the same radial part being used for the orbitals in a set. It is found that for s-p hybridization the bond energy is closely proportional to S3, with 5 the magnitude of the angular part of the bond orbital in the bond direction. This relation is less satisfactorily approximated in the case of s-p-d hybridization. 

The curve of single-bond metallic radii for the elements of the first long period has a characteristic appearance (Fig. 3) which must be attributed in the main to variation in the type of bond orbital. The rapid decrease from potassium to chromium results from increase in bond strength due to increasing s-p and d-s—p hybridization. The linear section of the curve from chromium to nickel substantiates the assumption that the same bonding orbitals (hybrids of 2.56 3d orbitals, one 4s orbital, and 2.22 4p orbitals) are effective throughout this series. The increase in radius from nickel to copper is attributed not... 

The electron affinities of a series of substituted quinones have been calculated using the hybrid Hartree Fock/density functional B3LYP method with a 6-311G(3d,p) basis set. The precision and accuracy plot for the Ea obtained from... 

In the third row K uses a doubly occupied 4s band of bonding orbitals, and Ca uses two s-p hybrid orbitals. In Sc the 3d-electron is comparable in energy to the 4s, and the d orbitals form a five-fold degenerate band. The free atoms of the first transition series all have high spin d-electrons in accordance with Hund s rule. We expect similar behavior in the solid state, so that only 2 1/2 electrons will fill the bonding d levels without double occupancy. This is the case for Sc, Ti and V. 

Traditional 3D Polyaniline-hybridized 30% wet-proofed Activated Single-chamber Sodium P.D. = 1098 P.D. for CF = 572 112... 

Our knowledge of the properties of orbitals indicates that some of the 3d orbitals might be combined with the 45 and 4p orbitals to form bond orbitals in metals, the other 3d orbitals being unsuited to bond formation, but does not suffice to give a theoretical derivation of the number of d orbitals in each of these classes. Empirical evidence, outlined below, indicates that about 2.44 d orbitals (on the average) show only weak interatomic interactions, and that the remaining 2.56 d orbitals combine with the 5 orbital and the p orbitals to form hybrid bond orbitals. 

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