Tables of Spectral Data for Structure Determination of Organic Compounds

Tables of Spectral Data for Structure Determination of Organic Compounds
Author: Ernö Pretsch
Publisher: Springer Science & Business Media
Total Pages: 325
Release: 2013-06-29
Genre: Science
ISBN: 3662224550

Although numerical data are, in principle, universal, the compilations presented in this book are extensively annotated and interleaved with text. This translation of the second German edition has been prepared to facilitate the use of this work, with all its valuable detail, by the large community of English-speaking scientists. Translation has also provided an opportunity to correct and revise the text, and to update the nomenclature. Fortunately, spectroscopic data and their relationship with structure do not change much with time so one can predict that this book will, for a long period of time, continue to be very useful to organic chemists involved in the identification of organic compounds or the elucidation of their structure. Klaus Biemann Cambridge, MA, April 1983 Preface to the First German Edition Making use of the information provided by various spectroscopic tech niques has become a matter of routine for the analytically oriented organic chemist. Those who have graduated recently received extensive training in these techniques as part of the curriculum while their older colleagues learned to use these methods by necessity. One can, therefore, assume that chemists are well versed in the proper choice of the methods suitable for the solution of a particular problem and to translate the experimental data into structural information.

Organic Structure Determination Using 2-D NMR Spectroscopy

Organic Structure Determination Using 2-D NMR Spectroscopy
Author: Jeffrey H. Simpson
Publisher: Academic Press
Total Pages: 591
Release: 2011-12-30
Genre: Science
ISBN: 0123849705

"The second edition of this book comes with a number of new figures, passages, and problems. Increasing the number of figures from 290 to 448 has necessarily added considerable length, weight, and, expense. It is my hope that the book has not lost any of its readability and accessibility. I firmly believe that most of the concepts needed to learn organic structure determination using nuclear magnetic resonance spectroscopy do not require an extensive mathematical background. It is my hope that the manner in which the material contained in this book is presented both reflects and validates this belief"--

Organic Structural Spectroscopy

Organic Structural Spectroscopy
Author: Joseph B. Lambert
Publisher: Pearson
Total Pages: 464
Release: 2013-11-01
Genre:
ISBN: 9781292039565

Chapter 1 Introduction 1-1 The Spectroscopic Approach to Structure Determination 1-2 Contributions of Different Forms of Spectroscopy 1-3 The Electromagnetic Spectrum 1-4 Molecular Weight and Molecular Formula 1-5 Structural Isomers and Stereoisomers Problems Part I NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY Chapter 2 Introduction 2-1 Magnetic Properties of Nuclei 2-2 The Chemical Shift 2-3 Excitation and Relaxation 2-4 Pulsed Experiments 2-5 The Coupling Constant 2-6 Quantification and Complex Splitting 2-7 Commonly Studied Nuclides 2-8 Dynamic Effects 2-9 Spectra of Solids 2-10 Experimental Methods Problems Tips on Solving NMR Problems Bibliography Chapter 3 The Chemical Shift 3-1 Factors That Influence Proton Shifts 3-2 Proton Chemical Shifts and Structure 3-3 Medium and Isotope Effects 3-4 Factors That Influence Carbon Shirts 3-5 Carbon Chemical Shifts and Structure 3-6 Tables of Chemical Shifts Problems Further Tips on Solving NMR Problems Bibliography Chapter 4 The Coupling Constant 4-1 First-Order Spectra 4-2 Chemical and Magnetic Equivalence 4-3 Signs and Mechanisms 4-4 Couplings over One Bond 4-5 Geminal Couplings 4-6 Vicinal Couplings 4-7 Long-Range Couplings 4-8 Spectral Analysis 4-9 Second-Order Spectra 4-10 Tables of Coupling Constants Problems Bibliography Chapter 5 Further Topics in One-Dimensional NMR 5-1 Spin-Lattice and Spin-Spin Relaxation 5-2 Reactions on the NMR Time Scale 5-3 Multiple Resonance 5-4 The Nuclear Overhauser Effect 5-5 Spectral Editing 5-6 Sensitivity Enhancement 5-7 Carbon Connectivity 5-8 Phase Cycling, Composite Pulses, and Shaped Pulses Problems Bibliography Chapter 6 Two-Dimensional NMR 6-1 Proton-Proton Correlation Through Coupling 6-2 Proton-Heteronucleus Correlation 6-3 Proton-Proton Correlation Through Space or Chemical Exchange 6-4 Carbon-Carbon Correlation 6-5 Higher Dimensions 6-6 Pulsed Field Gradients 6-7 Summary of Two-Dimensional Methods Problems Bibliography Part II MASS SPECTROMETRY Chapter 7 Instrumentation and Theory 7-1 Introduction 7-2 Ionization Methods 7-3 Mass Analysis 7-4 Sample Preparation Chapter 8 Ion Activation and Fragmentation 8-1 Basic Principles 8-2 Methods and Energetics 8-3 Functional Groups Chapter 9 Structural Analysis 9-1 Molecular Weights 9-2 Molecular Formula 9-3 Structures from Fragmentation Patterns 9-4 Polymers Chapter 10 Quantitative Applications 10-1 Quantification of Analytes 10-2 Thermochemistry Part III VIBRATIONAL SPECTROSCOPY Chapter 11 Introduction 11-1 Introduction 11-2 Vibrations of Molecules 11-3 Infrared and Raman Spectra 11-4 Units and Notation 11-5 Infrared Spectra: Dispersive and Fourier Transform 11-6 Sampling Methods for Infrared Transmission Spectra 11-7 Raman Spectroscopy 11-8 Raman Sampling Methods 11-9 Depolarization Measurements 11-10 Infrared Reflection Spectroscopy Problems Bibliography Chapter 12 Group Frequencies 12-1 Introduction 12-2 Factors Affecting Group Frequencies 12-3 Infrared Group Frequencies 12-4 Raman Group Frequencies 12-5 Preliminary Analysis 12-6 The CH Stretching Region (3340-2700 cm-1) 12-7 The Carbonyl Stretching Region (1850-1650 cm-1) 12-8 Aromatic Compounds 12-9 Compounds Containing Methyl Groups 12-10 Compounds Containing Methylene Groups 12-11 Unsaturated Compounds 12-12 Compounds Containing Oxygen 12-13 Compounds Containing Nitrogen 12-14 Compounds Containing Phosphorus and Sulfur 12-15 Heterocyclic Compounds 12-16 Compounds Containing Halogens 12-17 Boron, Silicon, Tin, Lead, and Mercury Compounds 12-18 Isotopically Labeled Compounds 12-19 Using the Literature on Vibrational Spectroscopy Problems Bibliography Part IV ELECTRONIC ABSORPTION SPECTROSCOPY Chapter 13 Introduction and Experimental Methods 13-1 Introduction 13-2 Measurement of Ultraviolet-Visible Light Absorption 13-3 Quantitative Measurements 13-4 Electronic Transitions 13-5 Experimental Aspects Problems Bibliography Chapter 14 Structural Analysis 14-1 Isolated Chromophores 14-2 Conjugated Chromophores 14-3 Aromatic Compounds 14-4 Important Naturally Occurring Chromophores 14-5 The Woodward-Fieser Rules 14-6 Steric Effects 14-7 Solvent Effects and Dynamic Equilibria 14-8 Hydrogen Bonding Studies 14-9 Homoconjugation 14-10 Charge Transfer Band 14-11 Worked Problems Problems Bibliography Chapter 15 Integrated Problems

An Introduction to Spectroscopy, Atomic Structure and Chemical Bonding

An Introduction to Spectroscopy, Atomic Structure and Chemical Bonding
Author: Terry L. Meek
Publisher: Canoe Press
Total Pages: 220
Release: 1998
Genre: Law
ISBN: 9789768125415

An Introduction to Spectroscopy presents the most fundamental concepts of inorganic chemistry at a level appropriate for first year students and in a manner comprehensible to them. This is true even of 'difficult' topics such as the wave mechanical atom, symmetry elements and symmetry operations, and the ligand group orbital approach to bonding, The book contains many useful diagrams illustrating (among other things) the angular dependence of atomic wave functions the derivation of energy level diagrams for polyatomic molecules; close packed lattices and ionic crystal structures. The diagrams of the periodic variation of atomic and molecular properties, showing trends across periods and down groups simultaneously, are especially instructive. Spectroscopy is presented mainly as a tool for the elucidation of atomic and molecular structures. Each chapter begins with a clear and concise statement of "What Every First-year Student Should Know About . . ." outlining the background knowledge that the student is assumed to have from previous courses and thus pointing out what topics might need to be reviewed. There are also detailed statements of the objectives of each chapter, a number of worked examples interspersed in the text, and a comprehensive set of problems and exercises to test the student's understanding. Tables of data throughout the text and appendices at the end provide much valuable information.

Problems in Organic Structure Determination

Problems in Organic Structure Determination
Author: Roger G. Linington
Publisher: CRC Press
Total Pages: 774
Release: 2015-10-14
Genre: Science
ISBN: 1498719635

With extensive detailed spectral data, it contains a variety of problems designed by renowned authors to develop proficiency in organic structure determination. It presents a concept-based learning platform, introducing key concepts sequentially and reinforcing them with problems that exemplify the complexities and underlying principles that govern each concept.

Structure Elucidation in Organic Chemistry

Structure Elucidation in Organic Chemistry
Author: Maria-Magdalena Cid
Publisher: John Wiley & Sons
Total Pages: 554
Release: 2015-01-05
Genre: Science
ISBN: 3527664637

Intended for advanced readers, this is a review of all relevant techniques for structure analysis in one handy volume. As such, it provides the latest knowledge on spectroscopic and related techniques for chemical structure analysis, such as NMR, optical spectroscopy, mass spectrometry and X-ray crystallography, including the scope and limitation of each method. As a result, readers not only become acquainted with the techniques, but also the advantages of the synergy between them. This enables them to choose the correct analytical method for each problem, saving both time and resources. Special emphasis is placed on NMR and its application to absolute configuration determination and the analysis of molecular interactions. Adopting a practical point of view, the author team from academia and industry guarantees both solid methodology and applications essential for structure determination, equipping experts as well as newcomers with the tools to solve any structural problem.

Organic Structural Spectroscopy

Organic Structural Spectroscopy
Author: Joseph B. Lambert
Publisher:
Total Pages: 584
Release: 1998
Genre: Science
ISBN:

Appropriate for courses in organic spectroscopy or organic spectroscopic techniques in senior undergraduate and graduate programs. This text authoritatively covers currently used techniques for determining the structure of organic and biological compounds ideal for any practicing or future organic or biochemist. The fundamentals of all four principal spectroscopic methods are covered in depth, each by an experienced author who is a practicing expert in that area. The material is easy to grasp, beginning at the most elementary level and progressing to the level required for organic research. Highlights include the most thorough and current treatment of NMR available, ample problem material, and two new chapters devoted to multiple pulse and two-dimensional methods.

Atomic Spectra and Atomic Structure

Atomic Spectra and Atomic Structure
Author: Gerhard Herzberg
Publisher: Courier Corporation
Total Pages: 292
Release: 1944-01-01
Genre: Science
ISBN: 9780486601151

For beginners and specialists in other fields: the Nobel Laureate's introduction to atomic spectra and their relationship to atomic structures, stressing basics in a physical, rather than mathematical, treatment. 80 illustrations.

Organic Spectroscopy

Organic Spectroscopy
Author: Lal Dhar Singh Yadav
Publisher: Springer Science & Business Media
Total Pages: 334
Release: 2013-08-30
Genre: Science
ISBN: 1402025750

Organic Spectroscopy presents the derivation of structural information from UV, IR, Raman, 1H NMR, 13C NMR, Mass and ESR spectral data in such a way that stimulates interest of students and researchers alike. The application of spectroscopy for structure determination and analysis has seen phenomenal growth and is now an integral part of Organic Chemistry courses. This book provides: -A logical, comprehensive, lucid and accurate presentation, thus making it easy to understand even through self-study; -Theoretical aspects of spectral techniques necessary for the interpretation of spectra; -Salient features of instrumentation involved in spectroscopic methods; -Useful spectral data in the form of tables, charts and figures; -Examples of spectra to familiarize the reader; -Many varied problems to help build competence ad confidence; -A separate chapter on ‘spectroscopic solutions of structural problems’ to emphasize the utility of spectroscopy. Organic Spectroscopy is an invaluable reference for the interpretation of various spectra. It can be used as a basic text for undergraduate and postgraduate students of spectroscopy as well as a practical resource by research chemists. The book will be of interest to chemists and analysts in academia and industry, especially those engaged in the synthesis and analysis of organic compounds including drugs, drug intermediates, agrochemicals, polymers and dyes.

Symmetry, Spectroscopy, and Crystallography

Symmetry, Spectroscopy, and Crystallography
Author: Robert Glaser
Publisher: John Wiley & Sons
Total Pages: 330
Release: 2015-10-05
Genre: Science
ISBN: 3527337490

Written in a clear and understandable manner, this book provides a comprehensive, yet non-mathematical, treatment of the topic, covering the basic principles of symmetry and the important spectroscopic techniques used to probe molecular structure. The chapters are extensively illustrated and deal with such topics as symmetry elements, operations and descriptors, symmetry guidelines, high-fidelity pseudosymmetry, crystallographic symmetry, molecular gears, and experimental techniques, including X-ray crystallography and NMR spectroscopy. As an additional feature, 3D animations of most of the structures and molecules covered are available online at wiley.com. As a result, chemists learn how to understand and predict molecular structures and reactivity. Authored by a renowned expert with numerous publications and an excellent track record in research and teaching, this is a useful source for graduate students and researchers working in the field of organic synthesis, physical chemistry, biochemistry, and crystallography, while equally serving as supplementary reading for courses on stereochemistry, organic synthesis, or crystallography.