Beginning Group Theory for Chemistry pdf epub mobi txt 电子书 下载 2026

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出版者:

作者:Walton, Paul

出品人:

页数:156

译者:

出版时间:1998-12

价格:$ 73.45

装帧:

isbn号码:9780198559641

丛书系列:

图书标签:

• Group Theory
• Chemistry
• Mathematics
• Symmetry
• Molecular Symmetry
• Chemical Applications
• Undergraduate
• Textbook
• Science
• Physics

Exploring Molecular Vibrations: A Spectroscopic Approach to Chemical Structure This comprehensive volume delves into the intricate world of molecular dynamics, focusing specifically on the powerful analytical tools provided by vibrational spectroscopy. Moving beyond the foundational concepts often covered in introductory texts, this book offers a rigorous, in-depth exploration of how molecular motions—stretching, bending, rocking, wagging, and twisting—are intrinsically linked to the electronic structure and overall geometry of chemical species. Part I: Theoretical Foundations of Molecular Motion The initial section establishes the essential theoretical framework. We begin with a detailed examination of the Harmonic Oscillator Model, deriving the quantized energy levels and transition probabilities necessary for understanding infrared (IR) and Raman spectra. This foundation is then rigorously extended to the Anharmonic Oscillator, introducing concepts such as the Morse potential and the physical significance of overtones and combination bands. Crucially, the text dedicates substantial focus to Group Theory as applied to Vibrational Analysis. We meticulously classify molecular point groups, derive the symmetry species (irreps) for various internal coordinates (bond stretches and angle deformations), and apply the Great Orthogonal Theorem to construct the correct symmetry coordinates, ensuring a deep understanding of which vibrations are active in IR, Raman, or both. The treatment of Normal Mode Analysis is presented step-by-step, emphasizing the construction and diagonalization of the F (Hessian) and B (Kinetic Energy) matrices, moving from simple diatomic molecules to increasingly complex polyatomic systems, including those exhibiting fluxional behavior. Part II: Infrared Spectroscopy: Principles and Instrumentation This section transitions from theory to the practical application of Infrared Spectroscopy. A thorough examination of Beer-Lambert Law validity, instrumental factors affecting spectral fidelity (e.g., resolution, apodization, beam splitter material), and sample presentation techniques (ATR, transmission, diffuse reflectance) is provided. We explore the origin of vibrational frequencies, linking bond strength, reduced mass, and conjugation effects directly to characteristic IR absorption regions (fingerprint region vs. functional group regions). A dedicated chapter investigates Interactions and Effects on Vibrational Frequencies, including: 1. Matrix Isolation Spectroscopy: Techniques for studying highly reactive or transient species by embedding them in inert gas matrices at cryogenic temperatures. 2. Hydrogen Bonding Effects: Detailed analysis of frequency shifts, band broadening, and intensity changes induced by intermolecular and intramolecular hydrogen bonds in both solution and solid states. 3. Vibrational Circular Dichroism (VCD): An advanced topic covering the measurement and interpretation of differential absorption for chiral molecules, providing crucial information regarding absolute configuration. Part III: Raman Spectroscopy and Advanced Techniques The volume then pivots to Raman scattering, contrasting its physical basis (polarizability changes versus dipole moment changes) with IR absorption. We systematically cover Classical and Quantum Theories of Raman Scattering, including the crucial role of Resonance Raman Spectroscopy (RRS), which dramatically enhances the signal for chromophoric molecules, allowing for the study of low-concentration intermediates or high-energy excited states. Instrumentation specifics, such as the choice of excitation laser wavelength, detector sensitivity, and the management of fluorescence interference, are detailed. A significant portion of this part is devoted to modern, spatially resolved techniques: Surface-Enhanced Raman Spectroscopy (SERS): An in-depth look at the mechanisms (electromagnetic and chemical enhancement) that allow for single-molecule sensitivity by using plasmonic nanostructures (e.g., silver or gold colloids). Coherent Anti-Stokes Raman Spectroscopy (CARS): Exploration of this non-linear technique for rapid, background-free vibrational imaging, particularly valuable in biological and combustion diagnostics. Part IV: Applications in Chemical Analysis and Structure Elucidation The final segment integrates the spectroscopic data with practical structural determination, moving beyond simple functional group identification. Crystallography and Solid-State Vibrations: We address the complexities introduced when molecules are incorporated into crystalline lattices. This includes analyzing factor group splitting (Davydov splitting) in the spectra of unit cells containing multiple symmetry-equivalent molecules, and interpreting the lattice modes (translations and rotations of the entire molecular unit) observable at very low wavenumbers. Polymer and Materials Characterization: Detailed case studies illustrate how vibrational spectroscopy characterizes macromolecular structure: degree of crystallinity, tacticity (isotactic vs. syndiotactic), conformation (e.g., trans vs. gauche in polyethylene chains), and phase separation in blends. Interfacial Chemistry and Adsorption Studies: The book explores surface science, focusing on how vibrational spectroscopy probes the nature of chemical bonds formed at metal-liquid or metal-gas interfaces. This includes analyzing shifts in vibrational frequencies due to ligand-metal charge transfer and the use of techniques like Infrared Reflection-Absorption Spectroscopy (IRAS) to determine molecular orientation on smooth surfaces. Spectroscopic Signatures of Transient Species: Finally, we review advanced applications in mechanistic chemistry, focusing on the identification and characterization of short-lived intermediates, such as free radicals, organometallic complexes in low oxidation states, and high-energy reaction transition states, utilizing cryogenic trapping and high-speed data acquisition methods. This text is structured to serve both the advanced undergraduate student seeking a rigorous theoretical grounding and the research chemist requiring a comprehensive reference for interpreting complex vibrational spectra across diverse chemical disciplines. It emphasizes the synergy between quantum mechanical prediction and empirical measurement to unlock the secrets held within the movement of atoms.

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