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

  • 10h 15m
  • Jorge Bravo (eds), María-Magdalena Cid
  • John Wiley & Sons (US)
  • 2015

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.

About the Editors

Magdalena Cid received her PhD from the Universidade of Santiago de Compostela in 1990 and did postdoctoral stages in Sandoz Pharma, now Novartis (Basel, Switzerland) and The Scripps Research Institute (La Jolla, CA, USA) mainly dealing with synthesis of nitrogen-containing compounds. In 1996 she joined the Universidade de Vigo where she has become an associate professor. She is interested in the design, synthesis and characterization of chiral (macro) molecules and the usage of chiroptical properties and NMR (scalar and dipolar coupling constants) for total elucidation of their structures.

Jorge Bravo is professor in the department of inorganic chemistry at the University of Vigo. His research interests encompass organometallic chemistry of group 7 - 9 metals, the development of water-soluble complexes, and their structure elucidation. He joined the University of Vigo in 1978.

In this Book

  • Interaction of Radiation with Matter
  • Computational Spectroscopy Tools for Molecular Structure Analysis
  • Absolute Configuration and Conformational Analysis of Chiral Compounds via Experimental and Theoretical Prediction of Chiroptical Properties—ORD, ECD, and VCD
  • Mass Spectrometry Strategies in the Assignment of Molecular Structure—Breaking Chemical Bonds before Bringing the Pieces of the Puzzle Together
  • Basic Principles of IR/Raman—Applications in Small Molecules Structural Elucidation
  • Solid-State NMR Applications in the Structural Elucidation of Small Molecules
  • Simplified NMR Procedures for the Assignment of the Absolute Configuration
  • Structural Elucidation of Small Organic Molecules Assistedby NMR in Aligned Media
  • NMR Techniques for the Study of Transient Intermolecular Interactions
  • Analysis of Molecular Interactions by Surface Plasmon Resonance Spectroscopy
  • Determination of Absolute Configurations by Electronic CD Exciton Chirality, Vibrational CD, 1H NMR Anisotropy, and X-Ray Crystallography Methods – Principles, Practices, and Reliability
  • An Integrated Approach to Structure Verification Using Automated Procedures
  • On the Search for the Appropriate Techniques for Structural Elucidation of Small Molecules