具有4m2个π电子的单环共轭体系为芳香稳定性的结构.PPT

八、自由价 (Free of valence) Fr = nmax – nr 能级的限与和 (The limitation and summary of the energetic orders) nmax = ?pi = 1.732 分子图 a. 电荷 b. 键级 c. 自由价 作业 5.12，5.13，5.15 E1 = ??? E2 = ?+? 1. ethene E = 2E1 = 2(???) 九、芳香性 (Aromacity) * 结构化学（structural chemistry） 第五章 多原子分子 Polyatomic Molecules 主讲教师：左春山 §5.1 分子轨道及能级 §5.2 定域键函数 §5.3 价电子对互斥理论 §5.4 Huckel分子轨道理论 §5.5 键长 §5.3 VSEPR Valence Shell Electron-Pair Repulsion Model Quantum mechanical treatments have a number of advantages. However, the VSEPR model allows a simple qualitative prediction of molecular geometry 1. Atom B in ABn lie on the surface of a sphere; electron pairs are “localized” on a sphere of smaller radius at maximum distances apart, so as to minimize overlap of different electron pairs. 2. Repulsion between different bonds Triple-triple triple-double double-double double-single single-single. 3. Repulsion between different electron pairs Lone pair-lone pair lone pair-bond pair bond pair-bond pair 4. The valence bond electron between higher electronegativity occupied less space 5. ? electron pair does not influence stereochem. Arrangements of Maximum distance between valence shell electron pairs. No. pairs arrangement 2 Linear 3 Equilateral triangle 4 Tetrahedron 5 Trigonal bipyramid 6 Octahedron Spatial Arrangements of Electron Pairs in Terminal Atoms in ABn Molecular Stereochemistry Td tetrahedral AB4 4 C3v pyramidal AB3e1 4 C2v bend AB2e2 4 D3h triangular AB3 3 C2v bend AB2e1 3 D∞h linear AB2 2 D∞h,C∞v none A2,AB 1 PG stereochem. formula Npe Oh octahedral AB6 6 C4v square pyramidal AB5e1 6 D4h square planar AB4e2 6 D3h trigonal bypyramid AB5 5 C2v non-planar AB4e1 5 C2v T-shaped AB3e2 5 D∞h linear AB2e3 5 PG stereochem. formula Npe §5.1 分子轨道及能级 §5.2 定域键函数 §5.3 价电子对互斥理论 §5.4 Huckel分子轨道理论 §5.5 键长 §5.5 Hückel分子轨道方法(Hückel molecular orbital method,HMO) 一、共轭体系特征： 共轭分子以其中有离域的?键为特征，它有若干特