分子结构化学原理.pptVIP

Bond Type and DEN Hybrid Orbitals and VSEPR Write a Lewis structure (/Determine LP ) Use VSEPR to predict electron geometry. Select the appropriate hybridization. Example: H2+ ,H2 ,He2 and He2+ O2, F2 N2 BO = (1-0)/2 = ? H2+ BO = (2-0)/2 = 1 H2 BO = (2-1)/2 = ? He2+ BO = (2-2)/2 = 0 He2 BO = (e-bond - e-antibond )/2 ? NO+ N2 CO 等电子体(isoelectronic) MO Diagrams of Heteronuclear Diatomics CO 1.128 CO+ 1.115 Illustration of molecular orbital O2 [(s1s)2(s*1s)2 (s2s)2(s*2s)2 (s2px)2 (p2py)2 (p2pz)2(p*2py)1 (p*2pz)1] or O2 [KK (s2s)2(s*2s)2 (s2px)2 (p2py)2 (p2pz)2(p*2py)1 (p*2pz)1] N2 [(s1s)2(s*1s)2 (s2s)2(s*2s)2 (s2px)2 ](p2py)2 (p2pz)2 or N2 [KK (s2s)2(s*2s)2 (s2px)2 (p2py)2 (p2pz)2] Molecular orbital theory Valence bond theory Atomic orbital Overlap Combination (LCAO) Electron localized delocalized Function Gound state Excited state 自由基 (Free radical) ·H ·O2- ·OH [KK (s2s)2(s*2s)2 (s2px)2 (p2py)2 (p2pz)2(p*2py)2 (p*2pz)1] Superoxide anion radical 3O2 [KK (s2s)2(s*2s)2 (s2px)2 (p2py)2 (p2pz)2(p*2py)1 (p*2pz)1] 1O2 [KK (s2s)2(s*2s)2 (s2px)2 (p2py)2 (p2pz)2(p*2py)2 (p*2pz)0] Reactive oxygen species (ROS) rather than only oxygen free radicals. ROS Synthesis of ROS and major cellular anti-oxidant network Important terms Molecular geometry Valence-shell electron-pair repulsion (VSEPR) model Dipole moment Valence bond theory Hybrid orbitals Molecular orbital theory Bonding orbitals Antibonding orbitals Homonuclear diatomic molecule Reactive oxygen species(ROS) Free Radical Review Atom Molecule Chemical Bond Geometry MO VB CFT VSEPR Hybrid orbital theory Polar molecules Nonpolar molecules Dipole moment Bond energy Bond angle Bond length Bond order Simple molecules Coordinate complexes Summary of concepts Skills Predicting molecular geometries Relating dipole moment and molecular geometry Applying Valence Bond theory Describing molecular orbital configuration Questions 习题 3(1)-(4)，4, 5, 9, 11, 15, 18, 19, 21, 22, 23, 25 偶极矩(μ) (dip