《无机化学》课件-107_Chapter-10MolecularStructure-lecture4.pptVIP

Chapter 10Molecular StructureLecture 4 Valence-bond theory (价键理论) and orbital hybridization theory (杂化轨道理论) provide a means by which we can explain the bonding in many molecules and polyatomic ions. However, Some observations cannot be explained by these theories, and require the development of a new theory. For example, why the molecule of oxygen(O2) is paramagnetic (顺磁性的)?10.3 Molecular Orbital Theory This theory, molecular orbital theory, considers the set of orbitals involved in bonding (the molecular orbitals or MOs) to be an attribute of the molecule rather than of the individual atoms. Atomic orbitals overlap to form molecular orbitals. When two atomic orbitals of equal energy overlap, they produce two molecular orbitals. One of the molecular orbitals produced is lower in energy than the original atomic orbitals. This is the bonding MO (成键分子轨道), designated ? . The bonding MO concentrates electron density between the nuclei, drawing them closer by electrostatic attraction. The other MO formed is higher in energy than the original atomic orbitals and has very little electron density between the nuclei. This is the antibonding MO (反键分子轨道), designated ?*. Electrons in antibonding orbitals tend to diminish the attraction between nuclei. The MOs of a hydrogen molecule and theoriginal atomic orbitals of the two hydrogenatoms on an energy-level diagram?1s*Atomic orbitalsH2 molecular orbitals As with atomic orbitals, MOs can hold up to two electrons, and electrons are placed in the lowest energy orbitals first. A hydrogen molecule has a total of two electrons, both of which reside in the bonding MO, ?1s , generated by the overlap of atomic orbitals. The antibonding MO in hydrogen, ?1s*, is empty. Electrons in bonding MOs are referred to as bonding electrons (成键电子). Electrons in antibonding MOs are referred to as antibonding electrons (反键电子). Rules for Linear Combination of Atomic Orbitals - LCAO? Rule of similar energy: Atomic orbitals (AOs) of about the same ene