Orbital Interactions in Chemistry.

• Κύριος συγγραφέας: Albright, Thomas A.
• Άλλοι συγγραφείς: Burdett, Jeremy K., 1947-, Whangbo, Myung-Hwan
• Μορφή: Ηλ. βιβλίο
• Γλώσσα: English
• Έκδοση: Chicester : Wiley, 2013.
• Έκδοση: 2nd ed.
• Θέματα: Molecular orbitals.; SCIENCE > Chemistry > Computational & Molecular Modeling.; Electronic books.

This new edition of a bestselling reference on applied molecular orbital theory covers organic, organometallic, inorganic, and solid state chemistry, demonstrating how common orbital situations arise through the whole chemical spectrum. This latest edition features a new chapter on current concepts...

Πίνακας περιεχομένων:

• Orbital Interactions In Chemistry; Contents; Preface; About the Authors; Chapter 1: Atomic and Molecular Orbitals; 1.1 Introduction; 1.2 Atomic Orbitals; 1.3 Molecular Orbitals; Problems; References; Chapter 2: Concepts of Bonding and Orbital Interaction; 2.1 Orbital Interaction Energy; 2.1.1 Degenerate Interaction; 2.1.2 Nondegenerate Interaction; 2.2 Molecular Orbital Coefficients; 2.2.1 Degenerate Interaction; 2.2.2 Nondegenerate Interaction; 2.3 The Two-Orbital Problem-Summary; 2.4 Electron Density Distribution; Problems; References; Chapter 3: Perturbational Molecular Orbital Theory.
• 3.1 Introduction3.2 Intermolecular Perturbation; 3.3 Linear H3, HF, and the Three-Orbital Problem; 3.4 Degenerate Perturbation; Problems; References; Chapter 4: Symmetry; 4.1 Introduction; 4.2 Symmetry of Molecules; 4.3 Representations of Groups; 4.4 Symmetry Properties of Orbitals; 4.5 Symmetry-Adapted Wavefunctions; 4.6 Direct Products; 4.7 Symmetry Properties, Integrals, and the Noncrossing Rule; 4.8 Principles of Orbital Construction Using Symmetry Principles; 4.9 Symmetry Properties of Molecular Vibrations; Problems; References.
• Chapter 5: Molecular Orbital Construction from Fragment Orbitals5.1 Introduction; 5.2 Triangular H3; 5.3 Rectangular and Square Planar H4; 5.4 Tetrahedral H4; 5.5 Linear H4; 5.6 Pentagonal H5 and Hexagonal H6; 5.7 Orbitals of Cyclic Systems; Problems; References; Chapter 6: Molecular Orbitals of Diatomic Molecules and Electronegativity Perturbation; 6.1 Introduction; 6.2 Orbital Hybridization; 6.3 Molecular Orbitals of Diatomic Molecules; 6.4 Electronegativity Perturbation; 6.5 Photoelectron Spectroscopy and Through-Bond Conjugation; Problems; References.
• Chapter 7: Molecular Orbitals and Geometrical Perturbation7.1 Molecular Orbitals of AH2; 7.2 Geometrical Perturbation; 7.3 Walsh Diagrams; 7.4 Jahn-Teller Distortions; 7.4.1 First-Order Jahn-Teller Distortion; 7.4.2 Second-Order Jahn-Teller Distortion; 7.4.3 Three-Center Bonding; 7.5 Bond Orbitals and Photoelectron Spectra Of AH2 Molecules; Problems; References; Chapter 8: State Wavefunctions and State Energies; 8.1 Introduction; 8.2 The Molecular Hamiltonian and State Wavefunctions; 8.3 Fock Operator; 8.4 State Energy; 8.5 Excitation Energy; 8.6 Ionization Potential and Electron Affinity.