High Resolution NMR Spectroscopy: Understanding Molecules and their Electronic Structures ( Volume 3 )

Publication series :Volume 3

Author: Contreras   Ruben Horacio  

Publisher: Elsevier Science‎

Publication year: 2013

E-ISBN: 9780444594143

P-ISBN(Paperback): 9780444594112

P-ISBN(Hardback):  9780444594112

Subject: O657.2 magnetochemical analysis method

Language: ENG

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Description

The progress in nuclear magnetic resonance (NMR) spectroscopy that took place during the last several decades is observed in both experimental capabilities and theoretical approaches to study the spectral parameters. The scope of NMR spectroscopy for studying a large series of molecular problems has notably broadened. However, at the same time, it requires specialists to fully use its potentialities. This is a notorious problem and it is reflected in the current literature where this spectroscopy is typically only used in a routine way. Also, it is seldom used in several disciplines in which it could be a powerful tool to study many problems. The main aim of this book is to try to help reverse these trends.

This book is divided in three parts dealing with 1) high-resolution NMR parameters; 2) methods for understanding high-resolution NMR parameters; and 3) some experimental aspects of high-resolution NMR parameters for studying molecular structures. Each part is divided into chapters written by different specialists who use different methodologies in their work. In turn, each chapter is divided into sections. Some features of the different sections are highlighted: it is expected that part of the readership will be interested only in the basic aspects of some chapters, while other readers will be interested in deepening their understanding of the subject dealt with in them.

  • Shows how NMR parameters are useful for structure assignment as well as to obtain

Chapter

Front Cover

pp.:  1 – 4

Copyright

pp.:  5 – 6

Contents

pp.:  6 – 12

Contributors

pp.:  12 – 14

Chapter 1: Introduction

pp.:  14 – 22

Chapter 3: Chemical Shift in Paramagnetic Systems

pp.:  54 – 82

Chapter 4: Relativistic Effects on NMR Parameters

pp.:  82 – 132

Chapter 5: The Polarization Propagator Approach as a Tool to Study Electronic Molecular Structures from High-Resolution N ...

pp.:  132 – 174

Chapter 6: Analysis of Contributions to Spin-Spin Coupling Constants by the Natural J-Coupling Method

pp.:  174 – 222

Chapter 7: Electronic Current Densities Induced by Magnetic Fields and Nuclear Magnetic Dipoles: Theory and Computation o ...

pp.:  222 – 258

Chapter 8: Transmission Mechanisms of the Fermi-Contact Term of Spin-Spin Couplings

pp.:  258 – 298

Chapter 9: Nonbonded Indirect Nuclear Spin-Spin Couplings (J Couplings ``Through-Space´´) for Structural Determination in ...

pp.:  298 – 328

Chapter 10: Chemical Shift Trends in Light Atoms

pp.:  328 – 360

Chapter 11: Application of 13C-13C Spin-Spin Couplings in Structural Studies on Organic Compounds

pp.:  360 – 438

Index

pp.:  438 – 449

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