Structure Determination Of Organic Compounds

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.

Table -- Combination tables -- 13C NMR spectroscopy -- 1H NMR specroscopy -- IR spectroscopy -- Mass spectrometry -- UV/Vis spectroscopy.

This succinct compilation of essential reference data for the interpretation of NMR, IR, UV/Vis, and mass spectra also provides a hands-on guide for interpreting experimental spectral data and elucidating the structure of the respective compounds behind them. This fourth edition of the highly successful and concise textbook contains about 20% new data.

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.

Determination of Organic Structures by Physical Methods, Volume 1 focuses on the processes, methodologies, principles, and approaches involved in the determination of organic structures by physical methods, including infrared light absorption, thermodynamic properties, Raman spectra, and kinetics. The selection first elaborates on the phase properties of small molecules, equilibrium and dynamic properties of large molecules, and optical rotation. Discussions focus on simple acyclic compounds, carbohydrates, steroids, diffusion, viscosity, osmotic pressure, sedimentation velocity, melting and boiling points, and molar volume. The book then examines ultraviolet and visible light absorption, infrared light absorption, Raman spectra, and the theory of magnetic susceptibility. Concerns cover applications to the study of organic compounds, applications to the determination of structure, determination of thermodynamic properties, and experimental methods and evaluation of data. The text ponders on wave-mechanical theory, reaction kinetics, and dissociation constants, including dissociation of molecular addition compounds, principles of reaction kinetics, and valence-bond treatment of aromatic systems. The selection is a valuable source of data for researchers interested in the determination of organic structures by physical methods.

Taking a problem-based approach, the authors provide a practice-oriented and systematic introduction to both organic and inorganic structure determination by spectroscopic methods. This includes mass spectrometry, vibrational spectroscopies, UV/VIS spectroscopy and NMR as well as applying combinations of these methods. The authors show how to elucidate chemical structures with a minimal number of spectroscopic techniques. Readers can train their skills by more than 400 problems with varying degree of sophistication. Interactive Powerpoint-Charts are available as Extra Materials to support self-study.

"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"--