Essentials of physical chemistry. (2011)

• Record Type: Book
• Further Information: Note: Donald Shillady.
• Other Names: Shillady, Donald
• Contents: Foreword; Author; List of Constants; Introduction: Mathematics and Physics Review; ; Ideal and Real Gas Behavior; Introduction to the ‘‘First Encounter with Physical Chemistry’’; Phenomenological Derivation of the Ideal Gas Equation; Charles’ (Jacques-Alexandre-César Charles) Law; Useful Units; Molecular Weight from Gas Density (the Dumas Bulb Method); Dalton’s Law of Partial Pressures; Nonideal Gas Behavior; Supercritical Fluid Chromatography; Summary; Problems; References; ; Viscosity of Laminar Flow; Introduction; Measurement of Viscosity; Viscosity of Blood; Staudinger’s Rule for Polymer Molecular Weight; Summary; Problems; Bibliography; References; ; The Kinetic Molecular Theory of Gases; Introduction; Kinetic Molecular Theory of Gases; Weighted Averaging: A Very Important Concept; Summary; Problems; References ; ; The First Law of Thermodynamics; Introduction; Historical Development of Thermodynamics; Definitions; First Law of Thermodynamics; Isothermal Processes; Enthalpy and Heat Capacities; Adiabatic Processes; Adiabatic Nozzle Expansion Spectroscopy; Diesel Engine Compression; Calorimetry and Thermochemistry; Hess’s Law of Heat Summation; Standard Heats of Formation at 298.15° K and 1.000 Bar Pressure; Temperature Dependence of Reaction Enthalpies; Polynomial Curve Fitting; Application to Δ H 0 rxn (T > 289.15° K); Other Types of Thermochemistry; Perspective; Key Formulas and Equations; Problems; Testing, Grading, and Learning?; References; ; The Second and Third Laws of Thermodynamics; Introduction; Carnot Cycle/Engine; Efficiency of Real Heat Engines; Entropy and Spontaneity; Summary of the Second Law of Thermodynamics; Eight Basic Equations of Thermodynamics; Third Law of Thermodynamics; Simple Statistical Treatment of Liquids and Gases; Summary; Testing, Grading, and Learning?; Problems; Bibliography; References; ; Gibbs’ Free Energy and Equilibria; Introduction; Temperature Dependence of Equilibrium Constants; van’t Hoff Equation; Vapor Pressure of Liquids; Phase Equilibria; How Ice Skates Work; Gibbs Phase Rule; Iodine Triple Point; (CP –CV ) for Liquids and Solids; Open Systems: Gibbs–Duhem Equation for Partial Molal Volumes; Chemical Potential for Open Systems; Modeling Liquids; Summary; Problems; Testing, Grading, and Learning?; Bibliography; References; ; Basic Chemical Kinetics; Introduction; First-Order Reactions; Promethium: An Introduction to Nuclear Chemistry; Madame Curie and Radioactivity; Radium; Second-Order Rate Processes: [A] = [B]; Second-Order Rate Processes: [A] ≠ [B]; Arrhenius Activation Energy; The Classic A —> B —> C Consecutive First-Order Reaction; Splitting the Atom; Problems; References; ; More Kinetics and Some Mechanisms; Introduction; Beyond Arrhenius to the Eyring Transition State; Example; Graphical–Analytical Method for ΔH‡ and ΔS‡; Summary of Graphical Method Results at T = 25 °C; Further Consideration of SN1 Solvolysis; Chain Reactions and the Steady State; Enzyme Kinetics; Example: A Hypothetical Enzyme; Kinetics Conclusions; Problems; Testing, Grading, and Learning?; Bibliography; References; ; Basic Spectroscopy; Introduction; Planck’s Discovery; Balmer’s Integer Formula; A Very Useful Formula; Preliminary Summary of the Bohr Atom; Significance of the Bohr Quantum Number n ; Orbital Screening; X-Ray Emission; Forensic/Analytical Use of Auger X-Rays; X-Ray Fluorescence; X-Ray Diffraction; Electronic Absorption Spectroscopy/Spectrophotometry; Interpreting Electronic Spectra; General Principles of Spectroscopy; Problems; Bibliography; References; ; Early Experiments in Quantum Physics; Introduction; Stefan–Boltzmann Law: Relating Heat and Light—Part I; Blackbody Radiation: Relating Heat and Light—Part II; Photoelectric Effect; De Broglie Matter Waves; Davisson–Germer Experiment; Summary; Problems; References; ; The Schrödinger Wave Equation; Introduction; Definition of a Commutator; Postulates of Quantum Mechanics; Particle on a Ring; Comparison of PIB and POR Applications; Additional Theorems in Quantum Mechanics; Summary; Problems; Study, Test, and Learn?; References; ; The Quantized Harmonic Oscillator, Vibrational Spectroscopy; Introduction; Harmonic Oscillator Details; Harmonic Oscillator Results; Reduced Mass; Isotope Shift in the Vibrational Fundamental Frequency; Hermite Recursion Rule; Infrared Dipole Selection Rule; 3N - 6 or 3N - 5 Vibrations?; Raman Spectroscopy; Summary; Problems; References; ; The Quantized Rigid Rotor and the Vib-Rotor; Introduction; Three-Dimensional Particle-in-a-Box; Rigid Rotor; Angular Wave Functions; Angular Momentum; Rotational Spectrum of CO; Fourier Transform Spectrometry; FT-IR Imaging and Microscopy; Dipole Requirement; Vib-Rotor Infrared Spectroscopy; Bond Length of H-35 17 Cl; Summary; Problems; References; ; The Schrödinger Hydrogen Atom; Introduction; Strategy to Solve the Problem; Associated Laguerre Polynomials; Interpretation; Pictures of Angular Orbitals; Powell Equivalent d-Orbitals; Unsöld’s Theorem; Aufbau Principle and the Scaled H atom; Term Symbols and Spin Angular Momentum; Hund’s Rule; |L, Sz ) versus |J, Jz) Coupling; Summary; Problems; References; ; Quantum Thermodynamics; Introduction; (Energy) Partition Function; Average Translation Energy in One Dimension; Average Rotational Energy of a Diatomic Molecule; Average Vibrational Energy; High-Temperature Limit for Vibrational Heat Capacity; Heat Capacity of a Polyatomic Species: Water; Combining Partition Functions; Statistical Formulas for Other Thermodynamic Functions; Statistical Formula for S (T ); Sakur–Tetrode Formula for Absolute Entropy of a Gas; Summary; Problems; References; ; Approximate Methods and Linear Algebra; Introduction; Simple First-Order Perturbation Theory; Principles of Perturbation Theory; Variation Method; Molecular Orbitals and the Secular Equation; Chemical Bonds of Ethylene; Elementary Linear Algebra; Unitary Similarity Diagonalization of a Square Hermitian Matrix; Jacobi Algorithm for Diagonalization Using a Computer; Order Matters!; Summary; Problems; Testing, Grading, and Learning!; Study, Test, and Learn?; References; ; Electronic Structure of Molecules; Introduction; Hartree–Fock–Roothan LCAO Calculations; Chemical Effects in Orbital Screening; Many-Electron Wave Functions; Atomic Units; Roothaan’s LCAO Hartree–Fock Equation; Practical Implementation and Examples; Dipole Moment of BH; Excited States of BH; Mesoionic Bond Orders; Summary; Problems; References; ; Point Group Theory and Electrospray Mass Spectrometry; Introduction; Basic Point Group Theory; Calculation of Molecular Vibrations; Future Development of Electrospray Mass Spectrometry?; ‘‘Making Elephants Fly’’; Summary; Problems; References; ; Essentials of Nuclear Magnetic Resonance; Int
• Publisher Details: Place of publication not identified : CRC Press
• Publication Date: 2011
• Extent: 1 online resource (512 pages), (51 illustrations)
• Subjects: 541; Chemistry, Physical and theoretical
• Languages: English
• ISBNs: 9781439896938; 1439896933
• Access Rights: Legal Deposit; Only available on premises controlled by the deposit library and to one user at any one time; The Legal Deposit Libraries (Non-Print Works) Regulations (UK).
• Access Usage: Restricted: Printing from this resource is governed by The Legal Deposit Libraries (Non-Print Works) Regulations (UK) and UK copyright law currently in force.