High Resolution NMR Spectroscopy: Understanding Molecules and their Electronic Structures, 1st Edition

  • Published By:
  • ISBN-10: 0444594140
  • ISBN-13: 9780444594143
  • DDC: 543.66
  • Grade Level Range: College Freshman - College Senior
  • 456 Pages | eBook
  • Original Copyright 2013 | Published/Released June 2014
  • This publication's content originally published in print form: 2013

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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.

Table of Contents

Front Cover.
Half Title Page.
Title Page.
Copyright Page.
1: Introduction.
2: Brief Account of Nonrelativistic Theory of NMR Parameters.
3: Chemical Shift in Paramagnetic Systems.
4: Relativistic Effects on NMR Parameters.
5: The Polarization Propagator Approach as a Tool to Study Electronic Molecular Structures from High-Resolution NMR Parameters.
6: Analysis of Contributions to Spin–Spin Coupling Constants by the Natural J-Coupling Method.
7: Electronic Current Densities Induced by Magnetic Fields and Nuclear Magnetic Dipoles: Theory and Computation of NMR Spectral Parameters.
8: Transmission Mechanisms of the Fermi-Contact Term of Spin–Spin Couplings.
9: Nonbonded Indirect Nuclear Spin–Spin Couplings (J Couplings “Through-Space”) for Structural Determination in Small Organic and Organometallic Species.
10: Chemical Shift Trends in Light Atoms.
11: Application of 13C–13C Spin–Spin Couplings in Structural Studies on Organic Compounds.