'Molecular orbitals' diaporamas de présentation

PCLOBE

PCLOBE. Quantum Chemistry on a PC. Important Lobe-Basis Papers. HISTORICAL FOUNDATIONS OF GAUSSIAN-LOBE BASIS SETS 1. S. F. Boys, Proc. Roy. Soc. A200, 542 (1950) 2. J. L. Whitten, J. Chem. Phys. v39, 349 (1963) 3. I. Shavitt, Methods in Comp. Phys. v2, p1 (1963)

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Chemical Bonding: Putting it Together 1. chemical bond: -ionic bond: -covalent bond:

Chemical Bonding: Putting it Together 1. chemical bond: -ionic bond: -covalent bond: -Electronegativity: -Polar Covalent: 2. octet rule: EXCEPTIONS 3. Lewis dot structure Formal Charge: Resonance: Isomers:. 4. Types of Bonds: -Single vs. double vs.triple bonds:

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Covalent Bonding: Molecular Geometry Hybridization of Atomic Orbitals Molecular Orbitals

Covalent Bonding: Molecular Geometry Hybridization of Atomic Orbitals Molecular Orbitals. Valence shell electron pair repulsion (VSEPR) model:. # of atoms bonded to central atom . # lone pairs on central atom. trigonal planar. trigonal planar. AB 3. 3. 0.

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This Week: Final Exam, Saturday 4/28 1:00-3:00pm

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CHAPTER 7

CHAPTER 7. Chemical Bonding. Chemical bonds. Attractive forces that hold atoms together in compounds. The electrons involved in bonding are usually those in the outermost (valence) shell.

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Chapter 15 Conjugated Systems, Orbital Symmetry, and Ultraviolet Spectroscopy

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Two Bonding Theories

Two Bonding Theories. Valence Bond Theory (localized electron model) Electrons in a molecule still occupy orbitals of individual atoms . Molecular Orbital Theory Says that atomic orbitals no longer exist. Molecular orbitals are available for occupation by electrons .

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Lecture 19

Lecture 19. Part 4: Solid State-Band Theory and Conductivity. Molecular Orbitals of Polylithium. Tro: Chemistry: A Molecular Approach, 2/e. Band Theory. When two atomic orbitals combine they produce both a bonding and an antibonding molecular orbital

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Sigma ( s ) and pi ( ? ) bonding in C 2 H 4

Sigma ( s ) and pi ( ? ) bonding in C 2 H 4. FIGURE 11-14. Class examples.

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Basic Ideas Concerning MOs

Basic Ideas Concerning MOs. Number of MOs = Number of AOs. Bonding (lower energy) and antibonding (higher energy) MOs formed from AOs. e - fill the lowest energy MO first (aufbau process) Maximum 2 e - per orbital (Pauli Exclusion Principle)

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UV / visible Spectroscopy

UV / visible Spectroscopy. Introduction Identification of organic species Quantitation of inorganic species Colorimetric analysis. UV / visible Spectroscopy. The origin of the analytical signal Excitation of an atom or molecule by ultraviolet or visible radiation. 190 - 900nm.

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Electronic Structure of Solids

Electronic Structure of Solids. In any solid, the cohesive forces that hold the solid together are due to the the Coulombic attractions between the electrons and the nuclei They are manifested in different types of solids as: Chemical Bonds Ionic Metallic Covalent Network

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CHAPTER 2: VALENCE BOND THEORY

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Chapter 8 Lecture 8.5 Hybridization

Chapter 8 Lecture 8.5 Hybridization. Section 8.3 Bonding Theories. Molecular Orbitals. a n orbital formed by the overlap of atomic orbitals Bonding orbital Can be occupied by two electrons in a covalent bond Sigma Bond Pi Bond. Sigma Bond ?. H ead-on overlap of two atomic orbitals

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Bonding theory

Bonding theory. Two methods of approximation are used to describe bonding between atoms. Valence bond method Bonds are assumed to be formed by overlap of atomic orbitals Molecular orbital method When atoms form compounds, their orbitals combine to form new orbitals - molecular orbitals .

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Molecular Orbital Theory

Molecular Orbital Theory. Atomic orbitals mix together and make: Bonding Orbitals Electrons in these orbitals help hold atoms near each other Antibonding Orbitals Electrons in these orbitals push atoms apart from each other Nonbonding Orbitals

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Molecular Geometry and Bonding Theories

Molecular Geometry and Bonding Theories. Notes 4. Molecular Orbitals. Some aspects of bonding are not explained by Lewis Structures, VSEPR, or hybridization For example Why does O2 interact in a magnetic field Why are some molecules colored?

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Chapter 9

Chapter 9 . Bonding. Hybridization. Hybridization is the mixing of native atomic orbitals to form special orbitals for bonding.

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Ozone Molecular Orbitals

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