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Structure Elucidation in Organic Chemistry

Structure Elucidation in Organic Chemistry Author Maria-Magdalena Cid
ISBN-10 9783527664634
Release 2015-01-05
Pages 552
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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.

Essential Practical NMR for Organic Chemistry

Essential Practical NMR for Organic Chemistry Author S. A. Richards
ISBN-10 9780470977224
Release 2010-12-07
Pages 216
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This book describes the use of NMR spectroscopy for dealing with problems of small organic molecule structural elucidation. It features a significant amount of vital chemical shift and coupling information but more importantly, it presents sound principles for the selection of the techniques relevant to the solving of particular types of problem, whilst stressing the importance of extracting the maximum available information from the simple 1-D proton experiment and of using this to plan subsequent experiments. Proton NMR is covered in detail, with a description of the fundamentals of the technique, the instrumentation and the data that it provides before going on to discuss optimal solvent selection and sample preparation. This is followed by a detailed study of each of the important classes of protons, breaking the spectrum up into regions (exchangeables, aromatics, heterocyclics, alkenes etc.). This is followed by consideration of the phenomena that we know can leave chemists struggling; chiral centres, restricted rotation, anisotropy, accidental equivalence, non-first-order spectra etc. Having explained the potential pitfalls that await the unwary, the book then goes on to devote chapters to the chemical techniques and the most useful instrumental ones that can be employed to combat them. A discussion is then presented on carbon-13 NMR, detailing its pros and cons and showing how it can be used in conjunction with proton NMR via the pivotal 2-D techniques (HSQC and HMBC) to yield vital structural information. Some of the more specialist techniques available are then discussed, i.e. flow NMR, solvent suppression, Magic Angle Spinning, etc. Other important nuclei are then discussed and useful data supplied. This is followed by a discussion of the neglected use of NMR as a tool for quantification and new techniques for this explained. The book then considers the safety aspects of NMR spectroscopy, reviewing NMR software for spectral prediction and data handling and concludes with a set of worked Q&As.

Computational Organic Chemistry

Computational Organic Chemistry Author Steven M. Bachrach
ISBN-10 9781118671221
Release 2014-03-03
Pages 632
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The Second Edition demonstrates how computational chemistry continues to shed new light on organic chemistry The Second Edition of author Steven Bachrach’s highly acclaimed Computational Organic Chemistry reflects the tremendous advances in computational methods since the publication of the First Edition, explaining how these advances have shaped our current understanding of organic chemistry. Readers familiar with the First Edition will discover new and revised material in all chapters, including new case studies and examples. There’s also a new chapter dedicated to computational enzymology that demonstrates how principles of quantum mechanics applied to organic reactions can be extended to biological systems. Computational Organic Chemistry covers a broad range of problems and challenges in organic chemistry where computational chemistry has played a significant role in developing new theories or where it has provided additional evidence to support experimentally derived insights. Readers do not have to be experts in quantum mechanics. The first chapter of the book introduces all of the major theoretical concepts and definitions of quantum mechanics followed by a chapter dedicated to computed spectral properties and structure identification. Next, the book covers: Fundamentals of organic chemistry Pericyclic reactions Diradicals and carbenes Organic reactions of anions Solution-phase organic chemistry Organic reaction dynamics The final chapter offers new computational approaches to understand enzymes. The book features interviews with preeminent computational chemists, underscoring the role of collaboration in developing new science. Three of these interviews are new to this edition. Readers interested in exploring individual topics in greater depth should turn to the book’s ancillary website, which offers updates and supporting information. Plus, every cited article that is available in electronic form is listed with a link to the article.

High Resolution NMR Techniques in Organic Chemistry

High Resolution NMR Techniques in Organic Chemistry Author Timothy D.W. Claridge
ISBN-10 9780080915036
Release 2008-11-19
Pages 398
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This book describes the most important high-resolution NMR techniques that find use in the structure elucidation of organic molecules and the investigation of their behavior in solution. The techniques are presented and explained using pictorial formats wherever possible, limiting the number of mathematical descriptions. The emphasis is on the more recently developed methods of solution-state NMR spectroscopy with a considerable amount of information on implementation and on the setting of critical parameters for anyone wishing to exploit these methods. * Presents a large number of examples to demonstrate the utility of the methods covered * Serves the needs of students and professionals in every chemistry laboratory * Describes the most important methods available, with guidance on execution of experiments

Structure Determination of Organic Compounds

Structure Determination of Organic Compounds Author Ernö Pretsch
ISBN-10 9783662042014
Release 2013-03-09
Pages 421
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While modem techniques of nuclear magnetic resonance and mass spectrometry changed the ways of data acquisition and greatly extended the capabilities of these methods, the basic parameters, such as chemical shifts, coupling constants, and fragmentation pathways remain the same. This explains the ongoing success of the earlier editions of this book. However, since the amount of available data has considerably increased over the years, we decided to prepare an entirely new manuscript. It follows the same basic concepts, i. e. , it provides a representative, albeit limited set of reference data for the interpretation of 13C NMR, 1 H NMR, IR, mass, and UV Nis spectra. On the other hand, the book has undergone a number of changes. The amount of reference data has been doubled at least (especially for MS and IR) and the order and selection of data for the various spectroscopic methods is now arranged strictly in the same way. In addition, the the enclosed compact disc contains programs for estimating NMR chemical shifts and generating isomers based on structural information. Unfortunately, our teachers and colleagues, Prof. Wilhelm Simon and Prof. Thomas Clerc are no longer among us, and Prof. Joseph Seibl has retired years ago. Their contributions to developing the concept and the earlier editions of this work cannot be overemphasized. We also thank numerous colleagues who helped us in many different ways to complete the manuscript. Weare particularly indebted to Dr.

High Resolution NMR Techniques in Organic Chemistry

High Resolution NMR Techniques in Organic Chemistry Author Timothy D.W. Claridge
ISBN-10 9780080999937
Release 2016-04-22
Pages 552
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High-Resolution NMR Techniques in Organic Chemistry, Third Edition describes the most important NMR spectroscopy techniques for the structure elucidation of organic molecules and the investigation of their behaviour in solution. Appropriate for advanced undergraduate and graduate students, research chemists and NMR facility managers, this thorough revision covers practical aspects of NMR techniques and instrumentation, data collection, and spectrum interpretation. It describes all major classes of one- and two-dimensional NMR experiments including homonuclear and heteronuclear correlations, the nuclear Overhauser effect, diffusion measurements, and techniques for studying protein–ligand interactions. A trusted authority on this critical expertise, High-Resolution NMR Techniques in Organic Chemistry, Third Edition is an essential resource for every chemist and NMR spectroscopist.

Modern Biophysical Chemistry

Modern Biophysical Chemistry Author Peter Jomo Walla
ISBN-10 9783527683550
Release 2015-09-10
Pages 360
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This updated and up-to-date version of the first edition continues with the really interesting stuff to spice up a standard biophysics and biophysical chemistry course. All relevant methods used in current cutting edge research including such recent developments as super-resolution microscopy and next-generation DNA sequencing techniques, as well as industrial applications, are explained. The text has been developed from a graduate course taught by the author for several years, and by presenting a mix of basic theory and real-life examples, he closes the gap between theory and experiment. The first part, on basic biophysical chemistry, surveys fundamental and spectroscopic techniques as well as biomolecular properties that represent the modern standard and are also the basis for the more sophisticated technologies discussed later in the book. The second part covers the latest bioanalytical techniques such as the mentioned super-resolution and next generation sequencing methods, confocal fluorescence microscopy, light sheet microscopy, two-photon microscopy and ultrafast spectroscopy, single molecule optical, electrical and force measurements, fluorescence correlation spectroscopy, optical tweezers, quantum dots and DNA origami techniques. Both the text and illustrations have been prepared in a clear and accessible style, with extended and updated exercises (and their solutions) accompanying each chapter. Readers with a basic understanding of biochemistry and/or biophysics will quickly gain an overview of cutting edge technology for the biophysical analysis of proteins, nucleic acids and other biomolecules and their interactions. Equally, any student contemplating a career in the chemical, pharmaceutical or bio-industry will greatly benefit from the technological knowledge presented. Questions of differing complexity testing the reader's understanding can be found at the end of each chapter with clearly described solutions available on the Wiley-VCH textbook homepage under:

Carbon 13 NMR of Flavonoids

Carbon 13 NMR of Flavonoids Author P.K. Agrawal
ISBN-10 9781483290744
Release 2013-10-22
Pages 581
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This detailed treatise is written for chemists who are not NMR spectroscopists but who wish to use carbon-13 NMR spectroscopy. It shows why measurement of carbon-13 NMR is needed and explains how the method can - or should - be used for rapid characterization of flavonoids, one of the most diverse and widespread groups of natural constituents. The first part of the book presents background information and discussion of the essential aspects of flavonoids and carbon-13 NMR spectroscopy and demonstrates its significant role in the revision of several earlier established chemical structures. It discusses various one- and two-dimensional NMR spectroscopic techniques and other relevant experimental methodologies for the interpretation of spectral details which enable individual resonance lines to be associated with the appropriate carbons in a molecule. The second part provides a comprehensive coverage of the carbon-13 chemical shifts of various classes and subclasses of flavonoids. It also illustrates how to utilize carbon-13 data to gain information for the determination of the nature, number and site of any substituent in flavonoids. Vital information for the differential and complete structure elucidation of the various classes of flavonoids by carbon-13 NMR shielding data is described in-depth in the third part of the book. The book will be welcomed by all those working in natural product chemistry who will appreciate the non-mathematical approach and the fact that such a wealth of theoretical and practical information has been assembled in a single volume.

Organic Structure Determination Using 2 D NMR Spectroscopy

Organic Structure Determination Using 2 D NMR Spectroscopy Author Jeffrey H. Simpson
ISBN-10 9780123849717
Release 2011-12-03
Pages 540
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Organic Structure Determination Using 2-D NMR Spectroscopy: A Problem-Based Approach, Second Edition, is a primary text for a course in two-dimensional (2-D) nuclear magnetic resonance (NMR) techniques, with the goal to learn to identify organic molecular structure. It presents strategies for assigning resonances to known structures and for deducing structures of unknown organic molecules based on their NMR spectra. The book begins with a discussion of the NMR technique, while subsequent chapters cover instrumental considerations; data collection, processing, and plotting; chemical shifts; symmetry and topicity; through-bond effects; and through-space effects. The book also covers molecular dynamics; strategies for assigning resonances to atoms within a molecule; strategies for elucidating unknown molecular structures; simple and complex assignment problems; and simple and complex unknown problems. Each chapter includes problems that will enable readers to test their understanding of the material discussed. The book contains 30 known and 30 unknown structure determination problems. It also features a supporting website from which instructors can download the structures of the unknowns in selected chapters, digital versions of all figures, and raw data sets for processing. This book will stand as a single source to which instructors and students can go to obtain a comprehensive compendium of NMR problems of varying difficulty. Presents strategies for assigning resonances to known structures and for deducing structures of unknown organic molecules based on their NMR spectra Contains 30 known and 30 unknown structure determination problems Features a supporting website from which instructors can download the structures of the unknowns in selected chapters, digital versions of all figures, and raw data sets for processing

Classics in Spectroscopy

Classics in Spectroscopy Author Stefan Berger
ISBN-10 3527325166
Release 2009-04-13
Pages 645
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The first book of its kind to describe the art of NMR using everyday examples. This textbook will not only fascinate students wanting to learn about the topic, but also those experienced analytical chemists who are still inspired by their profession. The contents provide for easy reading by using natural products that everyone knows, such as caffeine, backed by an attractive layout with many pictures to visualize the topics. In addition, an in-depth analytical part makes the book a valuable teaching tool, or for self-learning using the questions and answers at the end of each chapter.

Modern Alkaloids

Modern Alkaloids Author Ernesto Fattorusso
ISBN-10 3527315217
Release 2008
Pages 665
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This book presents all important aspects of modern alkaloid chemistry, making it the only work of its kind to offer up-to-date and comprehensive coverage. While the first part concentrates on the structure and biology of bioactive alkaloids, the second one analyzes new trends in alkaloid isolation and structure elucidation, as well as in alkaloid synthesis and biosynthesis. A must for biochemists, organic, natural products, and medicinal chemists, as well as pharmacologists, pharmaceutists, and those working in the pharmaceutical industry.

Total Synthesis of Natural Products

Total Synthesis of Natural Products Author Jie Jack Li
ISBN-10 9783642340659
Release 2013-03-14
Pages 279
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'Total Synthesis of Natural Products' is written and edited by some of today's leaders in organic chemistry. Eleven chapters cover a range of natural products, from steroids to alkaloids. Each chapter contains an introduction to the natural product in question, descriptions of its biological and pharmacological properties and outlines of total synthesis procedures already carried out. Particular emphasis is placed on novel methodologies developed by the respective authors and their research groups. This text is ideal for graduate and advanced undergraduate students, as well as organic chemists in academia and industry.

Nuclear Magnetic Resonance Spectroscopy

Nuclear Magnetic Resonance Spectroscopy Author Joseph B. Lambert
ISBN-10 0130890669
Release 2004
Pages 341
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This book offers complete coverage of classic (one-dimensional) NMR as well as up-to-date coverage of two-dimensional NMR and other modern methods. This book focuses on all aspects of NMR including classic methods, modern techniques, practical advice for execution of the NMR experiment, theory, and more. For practicing NMR spectroscopists who want a better understanding of their subject, professors who want a wider knowledge of NMR, preparative (synthetic) organic chemists in industry who want to have more information about how to prove the structures of the compounds they make, and analytical chemists in industry who actually carry out the experiments and want a better understanding of what they are doing.

Problems in Organic Structure Determination

Problems in Organic Structure Determination Author Roger G. Linington
ISBN-10 9781498719636
Release 2015-10-14
Pages 755
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At a point where most introductory organic chemistry texts end, this problems-based workbook picks up the thread to lead students through a graduated set of 120 problems. With extensive detailed spectral data, it contains a variety of problems designed by renowned authors to develop proficiency in organic structure determination. This workbook leads you from basic problems encountered in introductory organic chemistry textbooks to highly complex natural product-based problems. 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. The book is organized in such a way that allows you to work through the problems in order or in selections according to your experience and desired area of mastery. It also provides access to raw data files online that can be downloaded and used for data manipulation using freeware or commercial software. With its problem-centered approach, integrated use of online and digital resources, and appendices that include notes and hints, Problems in Organic Structure Determination: A Practical Approach to NMR Spectroscopy is an outstanding resource for training students and professionals in structure determination.

Lehninger Principles of Biochemistry

Lehninger Principles of Biochemistry Author David L. Nelson
ISBN-10 9780716771081
Release 2008-02-01
Pages 1100
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Authors Dave Nelson and Mike Cox combine the best of the laboratory and best of the classroom, introducing exciting new developments while communicating basic principles of biochemistry.

Mass Spectrometry

Mass Spectrometry Author Edmond de Hoffmann
ISBN-10 9781118681947
Release 2013-04-03
Pages 504
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The latest edition of a highly successful textbook, Mass Spectrometry, Third Edition provides students with a complete overview of the principles, theories and key applications of modern mass spectrometry. All instrumental aspects of mass spectrometry are clearly and concisely described: sources, analysers and detectors. Tandem mass spectrometry is introduced early on and then developed in more detail in a later chapter. Emphasis is placed throughout the text on optimal utilisation conditions. Various fragmentation patterns are described together with analytical information that derives from the mass spectra. This new edition has been thoroughly revised and updated and has been redesigned to give the book a more contemporary look. As with previous editions it contains numerous examples, references and a series of exercises of increasing difficulty to encourage student understanding. Updates include: Increased coverage of MALDI and ESI, more detailed description of time of flight spectrometers, new material on isotope ratio mass spectrometry, and an expanded range of applications. Mass Spectrometry, Third Edition is an invaluable resource for all undergraduate and postgraduate students using this technique in departments of chemistry, biochemistry, medicine, pharmacology, agriculture, material science and food science. It is also of interest for researchers looking for an overview of the latest techniques and developments.

Chemical Analysis

Chemical Analysis Author Francis Rouessac
ISBN-10 9781118681879
Release 2013-05-06
Pages 600
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Completely revised and updated, Chemical Analysis: Second Edition is an essential introduction to a wide range of analytical techniques and instruments. Assuming little in the way of prior knowledge, this text carefully guides the reader through the more widely used and important techniques, whilst avoiding excessive technical detail. Provides a thorough introduction to a wide range of the most important and widely used instrumental techniques Maintains a careful balance between depth and breadth of coverage Includes examples, problems and their solutions Includes coverage of latest developments including supercritical fluid chromatography and capillary electrophoresis