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Vcd Spectroscopy For Organic Chemists

Author: Philip J. Stephens
Publisher: CRC Press
ISBN: 1439821712
Size: 53.18 MB
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Stimulated by the increasing importance of chiral molecules as pharmaceuticals and the need for enantiomerically pure drugs, techniques in chiral chemistry have been expanded and refined, especially in the areas of chromatography, asymmetric synthesis, and spectroscopic methods for chiral molecule structural characterization. In addition to synthetic chiral molecules, naturally occurring molecules, which are invariably chiral and generally enantiomerically enriched, are of potential interest as leads for new drugs. VCD Spectroscopy for Organic Chemists discusses the applications of vibrational circular dichroism (VCD) spectroscopy to the structural characterization of chiral organic molecules. The book provides all of the information about VCD spectroscopy that an organic chemist needs in order to make use of the technique. The authors, experts responsible for much of the existing literature in this field, discuss the experimental measurement of VCD and the theoretical prediction of VCD. In addition, they evaluate the advantages and limitations of the technique in determining molecular structure. Given the availability of commercial VCD instrumentation and quantum chemistry software, it became possible in the late 1990s for chemists to use VCD in elucidating the stereochemistries of chiral organic molecules. This book helps organic chemists become more aware of the utility of VCD spectroscopy and provides them with sufficient knowledge to incorporate the technique into their own research.

Structure Elucidation In Organic Chemistry

Author: Maria-Magdalena Cid
Publisher: John Wiley & Sons
ISBN: 3527664637
Size: 37.11 MB
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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.

Vibrational Optical Activity

Author: Laurence A. Nafie
Publisher: John Wiley & Sons
ISBN: 1119977533
Size: 59.91 MB
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This unique book stands as the only comprehensive introduction to vibrational optical activity (VOA) and is the first single book that serves as a complete reference for this relatively new, but increasingly important area of molecular spectroscopy. Key features: A single-source reference on this topic that introduces, describes the background and foundation of this area of spectroscopy. Serves as a guide on how to use it to carry out applications with relevant problem solving. Depth and breadth of the subject is presented in a logical, complete and progressive fashion. Although intended as an introductory text, this book provides in depth coverage of this topic relevant to both students and professionals by taking the reader from basic theory through to practical and instrumental approaches.

Structure Elucidation In Organic Chemistry

Author: Maria-Magdalena Cid
Publisher: John Wiley & Sons
ISBN: 3527664637
Size: 36.60 MB
Format: PDF, Mobi
View: 3829
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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.

Computational Spectroscopy

Author: Jörg Grunenberg
Publisher: John Wiley & Sons
ISBN: 3527643621
Size: 33.99 MB
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Unique in its comprehensive coverage of not only theoretical methods but also applications in computational spectroscopy, this ready reference and handbook compiles the developments made over the last few years, from single molecule studies to the simulation of clusters and the solid state, from organic molecules to complex inorganic systems and from basic research to commercial applications in the area of environment relevance. In so doing, it covers a multitude of apparatus-driven technologies, starting with the common and traditional spectroscopic methods, more recent developments (THz), as well as rather unusual methodologies and systems, such as the prediction of parity violation, rare gas HI complexes or theoretical spectroscopy of the transition state. With its summarized results of so many different disciplines, this timely book will be of interest to newcomers to this hot topic while equally informing experts about developments in neighboring fields.

Computational Organic Chemistry

Author: Steven M. Bachrach
Publisher: John Wiley & Sons
ISBN: 1118671228
Size: 10.44 MB
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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 www.comporgchem.com, which offers updates and supporting information. Plus, every cited article that is available in electronic form is listed with a link to the article.

Comprehensive Chiroptical Spectroscopy Instrumentation Methodologies And Theoretical Simulations

Author: Nina Berova
Publisher: John Wiley & Sons
ISBN: 1118120175
Size: 33.93 MB
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This book provides an introduction to the important methods of chiroptical spectroscopy in general, and circular dichroism (CD) in particular, which are increasingly important in all areas of chemistry, biochemistry, and structural biology. The book can be used as a text for undergraduate and graduate students and as a reference for researchers in academia and industry, with or without the companion volume in this set. Experimental methods and instrumentation are described with topics ranging from the most widely used methods (electronic and vibrational CD) to frontier areas such as nonlinear spectroscopy and photoelectron CD, as well as the theory of chiroptical methods and techniques for simulating chiroptical properties. Each chapter is written by one or more leading authorities with extensive experience in the field.

Organic Stereochemistry

Author: Hua-Jie Zhu
Publisher: John Wiley & Sons
ISBN: 3527338225
Size: 45.72 MB
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Adopting a novel approach to the topic by combining theoretical knowledge and practical results, this book presents the most popular and useful computational and experimental methods applied for studying the stereochemistry of chemical reactions and compounds. The text is clearly divided into three sections on fundamentals, spectroscopic and computational techniques, and applications in organic synthesis. The first part provides a brief introduction to the field of chirality and stereochemistry, while the second part covers the different methodologies, such as optical rotation, electronic circular dichroism, vibrational circular dicroism, and Raman spectroscopy. The third section then goes on to describe selective examples in organic synthesis, classified by reaction type, i.e. enantioselective, chemoselective and stereoselective reactions. A final chapter on total synthesis of natural products rounds off the book. A valuable reference for researchers in academia and industry working in the field of organic synthesis, computational chemistry, spectroscopy or medicinal chemistry.

Practical Fourier Transform Infrared Spectroscopy

Author: John R. Ferraro
Publisher: Elsevier
ISBN: 0323146406
Size: 23.42 MB
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Practical Fourier Transform Infrared Spectroscopy: Industrial and Laboratory Chemical Analysis presents the Fourier Transform Infrared Spectroscopy (FT-IR) as a valuable analytic tool in solving industrial and laboratory chemical problems. The text provides chapters that deal with the various applications of FT-IR such as the characterization of organic and inorganic superconductors; the study of forensic materials such as controlled drug particles, fragments of polymers, textile fibers, and explosives; identification and quantification of impurities and measurement of epitaxial thickness in silicon; bulk and surface studies and microanalyses of industrial materials; and the identification or determination of unknown compounds. Chemists, industrial researchers, and product engineers will find the book useful.

A Textbook Of Organic Chemistry And Problem Analysis

Author: K. L. GHATAK
Publisher: PHI Learning Pvt. Ltd.
ISBN: 8120347978
Size: 74.33 MB
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The book is primarily intended for the students pursuing an honours degree in chemistry. The chapters have been designed to enable the beginners to delve into the subject gradually right from the elementary aspects of organic chemistry, such as properties of molecules and nomenclature, to discussions on organic compounds in the traditional way, that is, beginning with the hydrocarbons and ending up with carboxylic acids and their derivatives with due emphasis on both aliphatic and aromatic compounds. This has been followed by heterocyclic compounds. Chapters on organic reaction mechanism and stereochemistry have been dealt with extra care to enable beginners to master organic chemistry to the core. Natural products, an important part of organic chemistry, have been dealt with due care avoiding too much detail. Each chapter has been supplemented with well chosen worked-out problems to help the students build a strong foundation in the subject.