Page 10 - Physical chemistry eng

CONTENTS ix

23 The Chemical Bond in Diatomic 25.4 The Vibrational Fine Structure of Electronic
Transitions in Diatomic Molecules 606
Molecules 537
25.5 UV-Visible Light Absorption in Polyatomic
23.1 Generating Molecular Orbitals from Atomic Molecules 608
Orbitals 537 25.6 Transitions among the Ground and Excited
23.2 The Simplest One-Electron Molecule: States 610
+
H 2 541 25.7 Singlet–Singlet Transitions: Absorption and
+
23.3 The Energy Corresponding to the H 2 Fluorescence 611
Molecular Wave Functions c g and c u 543 25.8 Intersystem Crossing and Phosphorescence 613
+
23.4 A Closer Look at the H 2 Molecular Wave 25.9 Fluorescence Spectroscopy and Analytical
Functions c g and c u 546 Chemistry 614
23.5 Homonuclear Diatomic Molecules 548 25.10 Ultraviolet Photoelectron Spectroscopy 615
23.6 The Electronic Structure of Many-Electron 25.11 Single Molecule Spectroscopy 617
Molecules 552
25.12 Fluorescent Resonance Energy
23.7 Bond Order, Bond Energy, and Bond Transfer (FRET) 619
Length 555
25.13 Linear and Circular Dichroism 623
23.8 Heteronuclear Diatomic Molecules 557
25.14 Assigning + and - to © Terms of Diatomic
23.9 The Molecular Electrostatic Potential 560 Molecules 625

24 Molecular Structure and Energy
26 Computational Chemistry 631
Levels for Polyatomic Molecules 567
26.1 The Promise of Computational Chemistry 631
24.1 Lewis Structures and the VSEPR Model 567
26.2 Potential Energy Surfaces 632
24.2 Describing Localized Bonds Using Hybridization
26.3 Hartree–Fock Molecular Orbital Theory: A Direct
for Methane, Ethene, and Ethyne 570
Descendant of the Schrödinger Equation 636
24.3 Constructing Hybrid Orbitals for Nonequivalent
26.4 Properties of Limiting Hartree–Fock Models 638
Ligands 573
26.5 Theoretical Models and Theoretical Model
24.4 Using Hybridization to Describe Chemical
Chemistry 643
Bonding 576
26.6 Moving Beyond Hartree–Fock Theory 644
24.5 Predicting Molecular Structure Using
26.7 Gaussian Basis Sets 649
Qualitative Molecular Orbital Theory 578
26.8 Selection of a Theoretical Model 652
24.6 How Different Are Localized and Delocalized
Bonding Models? 581 26.9 Graphical Models 666
24.7 Molecular Structure and Energy Levels from 26.10 Conclusion 674
Computational Chemistry 584
24.8 Qualitative Molecular Orbital Theory for
Conjugated and Aromatic Molecules: The 27 Molecular Symmetry 687
Hückel Mode 586 27.1 Symmetry Elements, Symmetry Operations, and
24.9 From Molecules to Solids 592 Point Groups 687
24.10 Making Semiconductors Conductive at Room 27.2 Assigning Molecules to Point Groups 689
Temperature 593 27.3 The H O Molecule and the C Point Group 691
2v
2
27.4 Representations of Symmetry Operators, Bases
for Representations, and the Character Table 696
25 Electronic Spectroscopy 601
27.5 The Dimension of a Representation 698
25.1 The Energy of Electronic Transitions 601 27.6 Using the C 2v Representations to Construct
25.2 Molecular Term Symbols 602 Molecular Orbitals for H O 702
2
25.3 Transitions between Electronic States of 27.7 The Symmetries of the Normal Modes of
Diatomic Molecules 605 Vibration of Molecules 704