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2/26/2014 Chapter Outline Polar Bonds and Polar Molecules 5.1 Molecular Shape 5.2 Valence-Shell Electron-Pair Repulsion Theory (VSEPR) 5.3 Polar Bonds and Polar Molecules » What Makes a Molecule Polar? » Dipole Moments 5.4 5.5 5.6 5.7 Valence Bond Theory Shape and Interactions with Large Molecules Chirality and Molecular Recognition Molecular Orbital Theory Polar Bonds and Polar Molecules (cont.) Requirements for Polar Molecule: • 1. Molecule must contain polar bonds (i.e., covalent bond between atoms with ΔEN). • 2. Orientation of polar bonds results in charge separation from one part of the molecule to another. Polar bonds… but linear shape results in partial charges canceling out; nonpolar! Measuring Polarity Dipole moment (μ): Bond Dipole: •Separation of charge within a covalent bond. • Measured value defining extent of separation of + and − charge centers in a molecule. (Units = debyes (D); 1 D = 3.34 × 10−30 coul∙m ) Polar Molecule: •Vectors of bond dipoles sum > zero. Polar! © 2012 by W. W. Norton & Company Examples Permanent Dipole Moments Determine whether or not the following molecules are polar (a) CH2O (b) CHCl3 (c) CCl3F © 2012 by W. W. Norton & Company 1 2/26/2014 Chapter Outline The Orbital Overlap Model of Bonding 5.1 Molecular Shape 5.2 Valence-Shell Electron-Pair Repulsion Theory (VSEPR) 5.3 Polar Bonds and Polar Molecules 5.4 Valence Bond Theory H-H H-F » Orbital Overlap and Hybridization. » Hybridization and Molecular Geometries 5.5 Shape and Interactions with Large Molecules 5.6 Chirality and Molecular Recognition 5.7 Molecular Orbital Theory End to end overlap = sigma () bond Problem: the available s and p-orbitals are at 90o angles, not at the predicted 109.5o! Predicted Bonding and VSEPR Geometry for CH4 109.5 Lewis Structure o Electron Group Geometry around the central C atom is tetrahedral. Valence Bond Theory (hybrid orbitals) • A quantum mechanics-based theory of bonding that assumes covalent bonds form when half-filled orbitals on different atoms overlap or occupy the same region of space. Hybridization Rules – will be upgraded as we go New orbitals are constructed from pre-existing s, p, and d-orbitals = hybrid orbitals • In order for the bonding to match the VSEPR geometry, atomic orbitals must be combined into new “hybrid” orbitals that do result in the correct geometry. 1. Hybridize the CENTRAL ATOM ONLY (others as needed) 2. Only use valence shell electrons 3. The number of hybrid orbitals formed = number of atomic orbitals used 2 2/26/2014 sp3 Hybridization = Tetrahedral EG For CH4, we need 4 hybrid orbitals, so 4 atomic orbitals are required as follows: (s + p + p + p) = sp 3 Needed to form 4 sigma bonds Hybridization Rules – cont’d Other Examples – NH3 and H2O 1. Hybridize the CENTRAL ATOM ONLY (others as needed) 2. Only use valence shell electrons 3. The number of hybrid orbitals formed = number of atomic orbitals used 4. Hybrid orbitals get 1 electron for a -bond, 2 electrons for a lone pair. 3