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Structure Elucidation in Organic Chemistry : the Search for the Right Tools.

Author: Jorge Bravo; Maria-Magdalena Cid
Publisher: Hoboken : Wiley, 2015.
Edition/Format:   eBook : Document : EnglishView all editions and formats
Database:WorldCat
Summary:
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  Read more...
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Genre/Form: Electronic books
Additional Physical Format: Print version:
Bravo, Jorge.
Structure Elucidation in Organic Chemistry : The Search for the Right Tools.
Hoboken : Wiley, ©2015
Material Type: Document, Internet resource
Document Type: Internet Resource, Computer File
All Authors / Contributors: Jorge Bravo; Maria-Magdalena Cid
ISBN: 9783527664641 3527664645
OCLC Number: 900343634
Notes: Chapter 8: Structural Elucidation of Small Organic Molecules Assistedby NMR in Aligned Media.
Description: 1 online resource (1216 pages)
Contents: Cover; Related Titles; Title Page; Copyright; Preface; List of Contributors; Chapter 1: Interaction of Radiation with Matter; 1.1 Introduction; 1.2 Spectroscopy: A Definition; 1.3 Electromagnetic Radiation; 1.4 Electromagnetic Spectrum; 1.5 Interaction of Radiation with Matter; 1.6 Magnetic Spectroscopies; 1.7 Pulse Techniques in NMR Spectroscopy; 1.8 Line Widths; 1.9 Selection Rules; 1.10 Summary of Spectroscopic Techniques; References; Chapter 2: Computational Spectroscopy Tools for Molecular Structure Analysis; 2.1 Introduction; 2.2 Potential Energy Surface and Molecular Structure. 2.3 Computational Aspects for Spectroscopic Techniques2.4 Application and Case Studies; Acknowledgments; References; Chapter 3: Absolute Configuration and Conformational Analysis of Chiral Compounds via Experimental and Theoretical Prediction of Chiroptical Properties: ORD, ECD, and VCD; 3.1 Introduction; 3.2 Chirality; 3.3 What is a Chiroptical Method?; 3.4 Quantum Mechanical (Ab Initio) Methods for Predicting Chiroptical Properties; 3.5 Electronic Circular Dichroism (ECD); 3.6 Vibrational Circular Dichroism (VCD); 3.7 Optical Rotatory Dispersion (ORD). 3.8 When More than One Method is Needed3.9 Concluding Remarks; References; Chapter 4: Mass Spectrometry Strategies in the Assignment of Molecular Structure: Breaking Chemical Bonds before Bringing the Pieces of the Puzzle Together; 4.1 Introduction; 4.2 Instrumentation and Technology; 4.3 Breaking Chemical Bonds --
Fragmentation Reactions; 4.4 Confirmation of Identity; 4.5 Putting the Puzzle Together --
Structure Elucidation of Unknowns; 4.6 Conclusions and Perspectives; Abbreviations; References; Chapter 5: Basic Principles of IR/Raman: Applications in Small Molecules Structural Elucidation. 5.1 Introduction5.2 Characteristic Vibrational Modes: Diatomics and Chemical Bonds; 5.3 Fundamental Vibrational Modes and Molecular Structure; 5.4 Selection Rules and Finding the Number of Normal Modes in Each Symmetry Species; 5.5 The Vibrational Assignment of Raman and Infrared Spectra; 5.6 Conclusions; References; Chapter 6: Solid-State NMR Applications in the Structural Elucidation of Small Molecules; 6.1 Introduction; 6.2 Line-Narrowing and Sensitivity Enhancement Methods in ssNMR Spectroscopy; 6.3 Probing Dynamics in Solids; 6.4 Application of ssNMR Spectroscopy to Small Molecules. 6.5 NMR of Molecules on Surfaces (DNP)6.6 NMR Crystallography; Acronyms; References; Chapter 7: Simplified NMR Procedures for the Assignment of the Absolute Configuration; 7.1 Introduction; 7.2 Single Derivatization Methods for Mono- and Polyfunctional Compounds; 7.3 Resin-Bound Chiral Derivatizing Agents (Mix and Shake Method); 7.4 Non-resin in Tube Assignment (BPG and BINOL Borates); 7.5 Tandem HPLC-NMR: Simultaneous Enantioresolution and Configurational Assignment; 7.6 Assignment Based on the Chemical Shifts from the Auxiliaries; 7.7 Scope and Conclusions; References.

Abstract:

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. Speci.

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