原子轨道与分子结构的轨道理论关系.docVIP

1. Determine the Lewis structure 2. Determine the number of electron pairs (or clouds around the CENTRAL ATOM – multiple bonds count as ONE CLOUD (see next slide. 3. Find out the appropriate VSEPR geometry for the specified number of electron pairs, both bonding and lone pairs. 4. to establish the resulting molecular geometry. Multiple bonds count as one - e.g. 4 bonding pairs around C, but trigonalplanar instead of tetrahedral. Cl 2CO NH 3 H 2 O These types of molecules, where C = central atom and T = terminal atoms of the same type, are never polar. Fig. 10.8 sp 2hybridization on each C atom - sp 2hybrids and unhybridizedp-orbital Vbond = end-to-end overlap of the sp2 hybridized orbitals ? ? ? ? ? ? ? ? ? ? 1 electron from the sp2hybrid on C, the other from the hydrogen 1s orbital ? ? Sbond = side-by-side overlap of the unhybridized p-orbitals Electron from the unhybridized p-orbital on the C atom Sigma ( V Bonding in EthylenePi (S Bonding in Ethylene sp 2 120 o sp 2hybridization on C - sp 2hybridization on O - Sigma (V Bonding in Formaldehyde ? ? ? ? ? ? ? ? ? ? sp hybrids and unhybridizedp-orbitals Sigma (V Bonding in Acetylene Unhybridized p-orbitals Pi (S Bonding in Acetylene CO 2 Sigma Bonding in CO2Pi Bonding in CO 2 Pi bond formation involving p-orbitals S*2p S*2p S2p S2p 1. The total number of molecular orbitals= total numberof atomic orbitalscontributed by the bonding atoms 2. Bonding MO’s are lower in energy (more stable thanantibonding MO’s 3. Electrons occupy molecular orbitalsfollowing thePauli Exclusion Principle (spins pair up and Hund’s Rule (remain unpaired as long as an empty orbital isavailable of the same energy Molecular orbitals Atomic orbitals Atomic orbitals 2p 2p 2s 2s 1s 1s V1s V*1s V2s V*2s S2p V2p S*2p V*2p e.g. O2 sp 2hybridization of the terminal oxygens- Explain using Valence Bond Theory Pi Bonding in O3Combine 3 p-orbitals= 3 molecular orbitals Antibonding Sorbital Nonbonding Sorbital