Structure Elucidation in Organic Chemistry

The Search for the Right Tools

Cid, Magdalena / Bravo, Jorge (Editor)

1. Edition February 2015
XXII, 530 Pages, Hardcover
160 Pictures (10 Colored Figures)
Monograph

ISBN: 978-3-527-33336-3

Wiley-VCH, Weinheim

Wiley Online Library Content Sample Chapter Index

Short Description

Adopting a practical point of view, this is a review of all relevant techniques for structure analysis, including the scope and limitation of each method, all in one handy volume. Intended for advanced readers, special emphasis is placed on NMR.

- Out of print -

Further versions

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.

In 13 chapters, this monograph provides a comprehensive overview of the state of the art in structure and interaction analysis of molecules and systems with a variety of complexity.
* Introduction: different manifestations of the interaction of light with matter
* Computational spectroscopy tools for molecular structural analysis
* Absolute Configuration and Conformational Analysis of Chiral Compounds via Chiroptical Methods: ORD, ECD, and VCD
* Mass Spectrometry Strategies in the Assigment of Molecular Structures
* Vibrational Infrared and Raman Spectra. Applications in molecular characterization
* Solid-state NMR: Principles and Application to Small Molecules
* Simplified NMR Procedures for the Assignment of the Absolute Configuration
* Structural elucidation of small organic molecules assisted by NMR in aligned media
* NMR methods for the study of transient interactions
* Analysis of molecular interactions by surface plasmon resonance spectroscopy
* X-ray crystallography for conformational and configurational studies
* An Integrated Approach to Structure Verification using Automated Procedures
* On the search for the right techniques for structural elucidation of small molecules

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.

M. Cid, University of Vigo, Spain; J. Bravo, University of Vigo, Spain