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 insight on electronic structures Emphasis on conceptual aspects Contributions by specialists who use the discussed methodologies in their everyday work

lgrsnf/A:\_for_add\1\SD\series\18754023-3 (14).pdf

nexusstc/Introduction/cdd41b7a3f94a01fbec67b14d408a3bb.pdf

zlib/Chemistry/Rubén H. Contreras (Eds.)/High Resolution NMR Spectroscopy: Understanding Molecules and their Electronic Structures_2213395.pdf

Rubén H Contreras; Elsevier (Amsterdam)

Contreras, Ruben Horacio

Ruben Horacio Contreras

Wolters Kluwer Legal & Regulatory U.S.

Elsevier Science & Technology Books

Aspen Publishers

Science & Technology of Atomic, Molecular, Condensed Matter & Biological Systems, Amsterdam [etc, cop. 2013

Science and technology of atomic, molecular, condensed matter & biological systems, Amsterdam, 2013

Science and Technology of Atomic, Molecular, Condensed Matter & Biological Systems 3, 2013

United States, United States of America

Elsevier Ltd., Burlington, 2013

1, 2013

lg1044314

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<p>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.</p> <p>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. </p><br><br><ul><li>Shows how NMR parameters are useful for structure assignment as well as to obtain insight on electronic structures</li><li>Emphasis on conceptual aspects</li><li> <p>Contributions by specialists who use the discussed methodologies in their everyday work</p></li></ul>

Content:
Copyright
Page iv
Contributors
Pages xi-xii
Chapter 1 - Introduction
Pages 1-8
Rubén H. Contreras
Chapter 2 - Brief Account of Nonrelativistic Theory of NMR Parameters
Pages 9-39
Rubén H. Contreras, M.B. Ferraro, Martin C. Ruiz de Azúa, Gustavo A. Aucar
Chapter 3 - Chemical Shift in Paramagnetic Systems
Pages 41-67
Juha Vaara
Chapter 4 - Relativistic Effects on NMR Parameters
Pages 69-117
Jochen Autschbach
Chapter 5 - The Polarization Propagator Approach as a Tool to Study Electronic Molecular Structures from High-Resolution NMR Parameters
Pages 119-159
Gustavo A. Aucar, Martin C. Ruiz de Azúa, Claudia G. Giribet
Chapter 6 - Analysis of Contributions to Spin–Spin Coupling Constants by the Natural J -Coupling Method
Pages 161-207
J.M. García de la Vega, J. San Fabián
Chapter 7 - Electronic Current Densities Induced by Magnetic Fields and Nuclear Magnetic Dipoles: Theory and Computation of NMR Spectral Parameters
Pages 209-243
P. Lazzeretti
Chapter 8 - Transmission Mechanisms of the Fermi-Contact Term of Spin–Spin Couplings
Pages 245-284
Rubén H. Contreras, Cláudio F. Tormena, Lucas C. Ducati
Chapter 9 - Nonbonded Indirect Nuclear Spin–Spin Couplings ( J Couplings “Through-Space”) for Structural Determination in Small Organic and Organometallic Species
Pages 285-314
Jean-Cyrille Hierso
Chapter 10 - Chemical Shift Trends in Light Atoms
Pages 315-345
Rubén H. Contreras, Cláudio F. Tormena, Lucas C. Ducati, T. Llorente
Chapter 11 - Application of 13 C– 13 C Spin–Spin Couplings in Structural Studies on Organic Compounds
Pages 347-424
Krystyna Kamieńska-Trela, Jacek Wójcik
Index
Pages 425-435

2013-11-12