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High Resolution Nmr Spectroscopy

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High Resolution NMR Spectroscopy Understanding Molecules and their Electronic Structures

High Resolution NMR Spectroscopy  Understanding Molecules and their Electronic Structures Book
Author : Anonim
Publisher : Elsevier
Release : 2013-08-27
ISBN : 9780444594112
Language : En, Es, Fr & De

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

High Resolution NMR Spectroscopy in Solids

High Resolution NMR Spectroscopy in Solids Book
Author : M. Mehring
Publisher : Springer
Release : 2012-01-21
ISBN : 9783642963346
Language : En, Es, Fr & De

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Book Description :

Manipulation and Dilution Tools for Ruling Abundant Species "NMR is dead" was the slogan heard in the late 1960s at least among physicists, until John S. Waugh and his co-workers initiated a series of new NMR experiments, which employed the coherent modulation of interactions by strong radiofrequency fields. A wealth of new phenomena was observed, which are summarized in the introduction for the convenience of the unbiased reader, whereas Section 2 collects the basic spin interactions observed in solids. Line-narrowing effects in dipolar coupled solids by the application of multiple pulse experiments are extensively discussed in Section 3. Numerous extensions of the basic Waugh, Huber, and Haeberlen experiment have been developed by different groups and have been applied to the nuclei IH, 9Be, 19F, 27Al, 31p, 63CU in solids. Application of this technique to a variety of systems is still in progress and should reveal interesting insights into weak spin interactions in solids. It was soon realized that rare spins could be used as monitors for molecular fields in the solid state; however, rare spin observation is difficult because of the small signal-to-noise ratio. Pines, Gibby, and Waugh introduced a new concept of cross-polarization, based on ideas of Hahn and co-workers, which allows the detection ofrare spins with increased sensitivity. The dynamics involved are treated in detail. Other sections merely list results obtained by the techniques described and demonstrate their usefulness in the investigation of dynamical problems in molec ular and solid state physics.

High Resolution NMR Techniques in Organic Chemistry

High Resolution NMR Techniques in Organic Chemistry Book
Author : Timothy D.W. Claridge
Publisher : Elsevier
Release : 2016-04-22
ISBN : 008099993X
Language : En, Es, Fr & De

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Book Description :

High-Resolution NMR Techniques in Organic Chemistry, Third Edition describes the most important NMR spectroscopy techniques for the structure elucidation of organic molecules and the investigation of their behaviour in solution. Appropriate for advanced undergraduate and graduate students, research chemists and NMR facility managers, this thorough revision covers practical aspects of NMR techniques and instrumentation, data collection, and spectrum interpretation. It describes all major classes of one- and two-dimensional NMR experiments including homonuclear and heteronuclear correlations, the nuclear Overhauser effect, diffusion measurements, and techniques for studying protein–ligand interactions. A trusted authority on this critical expertise, High-Resolution NMR Techniques in Organic Chemistry, Third Edition is an essential resource for every chemist and NMR spectroscopist.

High resolution NMR Techniques in Organic Chemistry

High resolution NMR Techniques in Organic Chemistry Book
Author : T. Claridge
Publisher : Elsevier
Release : 1999
ISBN : 9780080427980
Language : En, Es, Fr & De

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Book Description :

From the initial observation of proton magnetic resonance in water and in paraffin, the discipline of nuclear magnetic resonance has seen unparalleled growth as an analytical method. Modern NMR spectroscopy is a highly developed, yet still evolving, subject which finds application in chemistry, biology, medicine, materials science and geology. In this book, emphasis is on the more recently developed methods of solution-state NMR applicable to chemical research, which are chosen for their wide applicability and robustness. These have, in many cases, already become established techniques in NMR laboratories, in both academic and industrial establishments. A considerable amount of information and guidance is given on the implementation and execution of the techniques described in this book.

Structure of High Resolution NMR Spectra

Structure of High Resolution NMR Spectra Book
Author : P.L. Corio
Publisher : Elsevier
Release : 2012-12-02
ISBN : 032314599X
Language : En, Es, Fr & De

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Book Description :

Structure of High-Resolution NMR Spectra provides the principles, theories, and mathematical and physical concepts of high-resolution nuclear magnetic resonance spectra. The book presents the elementary theory of magnetic resonance; the quantum mechanical theory of angular momentum; the general theory of steady state spectra; and multiple quantum transitions, double resonance and spin echo experiments. Physicists, chemists, and researchers will find the book a valuable reference text.

Computer Assistance in the Analysis of High Resolution NMR Spectra

Computer Assistance in the Analysis of High Resolution NMR Spectra Book
Author : P. Diehl,H. Kellerhals,E. Lustig
Publisher : Springer
Release : 2011-12-27
ISBN : 9783642652639
Language : En, Es, Fr & De

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Book Description :

Nuclear magnetic resonance spectroscopy, which has evolved only within the last 20 years, has become one of the very important tools in chemistry and physics. The literature on its theory and application has grown immensely and a comprehensive and adequate treatment ofall branches by one author, or even by several, becomes increasingly difficult. by experts workinginvarious This seriesis planned to present articles written fields of nuclear magnetic resonance spectroscopy, and will contain review articles as well as progress reports and original work. Its main aim, however, is to fill a gap, existing in literature, by publishing articles written by specialists, which take the reader from the introductory stage to the latest development in the field. The editors are grateful to the authors for the time and effort spent in writing the articles, and for their invaluable cooperation. The Editors Computer Assistance in the Analysis of High-Resolution NMR Spectra P. DIEHL and H. KELLERHALS Departmentof Physics, University ofBasle, Switzerland E. LUSTIG Food and Drug Administration, Washington, D.C., U.S.A.

High Resolution NMR Spectroscopy

High Resolution NMR Spectroscopy Book
Author : Rubén H. Contreras
Publisher : Elsevier Inc. Chapters
Release : 2013-06-08
ISBN : 012808295X
Language : En, Es, Fr & De

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Book Description :

In this introductory chapter are described briefly the aims and scopes of this multiauthor book. One of the main ideas behind them is helping its readership to understand some approaches for extracting information on subtle chemical interactions, defining trends of such parameters from either measured or calculated high-resolution NMR parameters (indirect nuclear spin–spin coupling constants and nuclear magnetic shielding constant) without needing to acquire solid backgrounds on quantum chemistry. However, in all cases, the discussed ideas are based on solid grounds, and adequate references are quoted for readers interested in a better understanding of the basic concepts lying behind such approaches. It is highlighted that such discussions are restricted only to a few methods in order to both avoid overlapping this book with descriptions found in the current literature and to avoid lengthening this book beyond reasonable limits. It was also considered pertinent to include chapters dealing with concepts whose importance are increasing rapidly in modern NMR spectroscopy like for instance, relativistic effects on NMR parameters in compounds containing heavy atoms, and NMR spectroscopy in paramagnetic species, pNMR. Also, it was considered opportune including in this book excellent examples showing how very good excellent sets of experimental values can provide interesting insight in some chemical interactions.

High Resolution NMR

High Resolution NMR Book
Author : Edwin D. Becker
Publisher : Unknown
Release : 1969
ISBN : 0987650XXX
Language : En, Es, Fr & De

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Book Description :

Download High Resolution NMR book written by Edwin D. Becker, available in PDF, EPUB, and Kindle, or read full book online anywhere and anytime. Compatible with any devices.

High Resolution NMR Spectroscopy in Solids

High Resolution NMR Spectroscopy in Solids Book
Author : M Mehring
Publisher : Unknown
Release : 1976-09-01
ISBN : 9783642963339
Language : En, Es, Fr & De

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Book Description :

Download High Resolution NMR Spectroscopy in Solids book written by M Mehring, available in PDF, EPUB, and Kindle, or read full book online anywhere and anytime. Compatible with any devices.

High Resolution NMR Spectroscopy

High Resolution NMR Spectroscopy Book
Author : Juha Vaara
Publisher : Elsevier Inc. Chapters
Release : 2013-06-08
ISBN : 0128082976
Language : En, Es, Fr & De

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Book Description :

The theory and quantum-chemical calculations of the spectral parameters of nuclear magnetic resonance (NMR) are well established in the case of diamagnetic, closed-shell molecules. In contrast, NMR calculations of paramagnetic, open-shell molecules (pNMR) are scarce, limited by both assumptions within the underlying theoretical background as well as the availability of computational implementations. We discuss the systematic development of pNMR theory that recently culminated in a novel, general and systematic electronic structure approach for the shielding tensor and the associated chemical shift for paramagnetic, open-shell atoms, molecules, and nonmetallic solids. The approach has now been extended for the first time to a higher than doublet spin state as well as arbitrary spatial symmetry. The approach is formulated without reference to spin susceptibility, in contrast to the contemporary experimental procedure and approximate quantum-chemical treatment of axial zero-field splitting. As a result of the systematic procedure, all the temperature-dependent hyperfine shielding terms are generalized and, for example, the leading-order nonrelativistic dipolar term now provides an isotropic chemical shift contribution for species with triplet and higher spin multiplicity. Recent first-principles quantum-chemical calculations of pNMR chemical shifts are reviewed both using the novel theory as well as earlier approaches.

The Application of High Resolution NMR Spectroscopy to Solids

The Application of High Resolution NMR Spectroscopy to Solids Book
Author : Elizabeth Rinden
Publisher : Unknown
Release : 1983
ISBN : 0987650XXX
Language : En, Es, Fr & De

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Book Description :

Download The Application of High Resolution NMR Spectroscopy to Solids book written by Elizabeth Rinden, available in PDF, EPUB, and Kindle, or read full book online anywhere and anytime. Compatible with any devices.

High Resolution NMR Spectroscopy

High Resolution NMR Spectroscopy Book
Author : Gustavo A. Aucar,Martin C. Ruiz de Azúa,Claudia G. Giribet
Publisher : Elsevier Inc. Chapters
Release : 2013-06-08
ISBN : 0128082992
Language : En, Es, Fr & De

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Book Description :

Polarization propagators (PP) are powerful theoretical tools that allow carrying out a deep analysis of the electronic mechanisms underlying any molecular response property. The inner projections of the PP and contributions from localized orbitals within the PP approaches described in were developed to fully take advantage of this power of analysis for the study of NMR spectroscopic parameters. They are based on the use of localized molecular orbitals (LMOs) related to chemically intuitive concepts to decompose the mathematical expression of these parameters into coupling pathways or shielding pathways. Each of them may be furthermore decomposed into two new objects: (i) perturbators, which give information on the efficiency of a given magnetic perturbation to produce local excitations and (ii) the principal propagator matrix elements which provide deep understanding on the way perturbations are transmitted within the electronic framework of the molecule under study. Applications are presented in , both within semiempirical and ab initio approaches: the Karplus rule, a general analysis of the signs of J couplings, σ–π decomposition, hyperconjugative effects in transmission of J couplings, general features of 1J couplings, and intermolecular couplings in hydrogen-bonded systems. All applications were especially selected to cover examples in which qualitative physical insight can be gained.

High Resolution NMR Spectroscopy

High Resolution NMR Spectroscopy Book
Author : Rubén H. Contreras,Cláudio F. Tormena,Lucas C. Ducati,T. Llorente
Publisher : Elsevier Inc. Chapters
Release : 2013-06-08
ISBN : 0128083042
Language : En, Es, Fr & De

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Book Description :

In this chapter, the qualitative model described in is applied to show systematic rationalizations in terms of chemical interactions that define well-known trends for chemical shifts corresponding to 13C, 15N, 17O, and 19F isotopes. The theoretical fundamentals for this approach are given in . They could be a bit difficult to follow for readers who do not have a good training in physics and mathematics. However, this difficulty was intended to be overcome by resorting in to describing this approach and providing “physically” several mathematical expressions and describing them in terms of familiar concepts employed frequently in different branches of chemistry and structural biology. The authors believe that once readers understand how easy this approach is and how it facilitates building pictorial representations of how several chemical interactions can be detected by means of high-resolution NMR spectroscopy, the initial problems will be overcome very soon.

Isotope Effects in High Resolution Nmr Spectroscopy

Isotope Effects in High Resolution Nmr Spectroscopy Book
Author : H. S. GUTOWSKY,ILLINOIS UNIV AT URBANA WILLIAM A NOYES LAB.
Publisher : Unknown
Release : 1959
ISBN : 0987650XXX
Language : En, Es, Fr & De

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Book Description :

Download Isotope Effects in High Resolution Nmr Spectroscopy book written by H. S. GUTOWSKY,ILLINOIS UNIV AT URBANA WILLIAM A NOYES LAB., available in PDF, EPUB, and Kindle, or read full book online anywhere and anytime. Compatible with any devices.

High Resolution NMR Spectroscopy

High Resolution NMR Spectroscopy Book
Author : P. Lazzeretti
Publisher : Elsevier Inc. Chapters
Release : 2013-06-08
ISBN : 0128083018
Language : En, Es, Fr & De

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Book Description :

The Ramsey theory of nuclear magnetic resonance spectral parameters has been reformulated in terms of current densities induced in the electron cloud of a molecule by an external magnetic field and intramolecular magnetic dipoles at the nuclei. Conditions for invariance of nuclear magnetic shielding and nuclear spin–spin coupling tensors, in gauge transformations of the vector potentials associated to the magnetic perturbations, have been expressed via quantum mechanical sum rules, also providing constraints for charge conservation. It is shown that the combined use of current density and property density maps provides valuable tools for the rationalization of magnetic response.

High Resolution NMR Spectroscopy

High Resolution NMR Spectroscopy Book
Author : Rubén H. Contreras,M.B. Ferraro,Martin C. Ruiz de Azúa,Gustavo A. Aucar
Publisher : Elsevier Inc. Chapters
Release : 2013-06-08
ISBN : 0128082968
Language : En, Es, Fr & De

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Book Description :

This chapter describes briefly chemical shifts (or nuclear magnetic shielding constants) and indirect spin–spin coupling constants. They are well known as powerful tools for studying several molecular properties which are very important in different branches of the broad field of molecular sciences. The present description is oriented to an interdisciplinary audience and therefore it is expected that it can be followed for readers without strong backgrounds either in mathematics or physics. After a short revision of basic concepts, a qualitative method devised to extract information on electronic molecular structures is described. This aim is achieved employing this qualitative method for relating such parameters known in different series of compounds with several common chemical interactions. Since both types of NMR parameters present second-rank tensor properties, it is discussed how such property is affected in molecules measured in isotropic phase. Anybody with mathematical and physical background would answer immediately, “in isotropic phase is only observed one-third of the respective tensor trace.” However, in molecules that trace depends on the relative orientation of the Principal Axes System and bonds associated to the atom whose nuclear magnetic shielding is studied, or to the straight line connecting a pair of coupled nuclei. To describe these effects in this chapter is coined the expression “the geometric effect” to identify them. The same expression is also employed in . A list of exercises and appropriate references are included at the end of this chapter.

Polarization Transfer Experiments in High resolution NMR Spectroscopy

Polarization Transfer Experiments in High resolution NMR Spectroscopy Book
Author : Ole Winneche Sørensen
Publisher : Unknown
Release : 1989
ISBN : 0987650XXX
Language : En, Es, Fr & De

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Book Description :

Download Polarization Transfer Experiments in High resolution NMR Spectroscopy book written by Ole Winneche Sørensen, available in PDF, EPUB, and Kindle, or read full book online anywhere and anytime. Compatible with any devices.

Paramagnetic Complexes in High Resolution NMR Spectroscopy

Paramagnetic Complexes in High Resolution NMR Spectroscopy Book
Author : V. K. Voronov,A. V. Podoplelov
Publisher : Unknown
Release : 2015-01-01
ISBN : 9781634826983
Language : En, Es, Fr & De

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Book Description :

The monograph covers theoretical aspects of the method based on the analysis of NMR spectra transformed by electron-nuclear or hyperfine coupling, and provides examples of its practical application for the solution of different tasks related to structure and intramolecular dynamics of multi-electron systems. The fundamentals of NMR theory in paramagnetic systems were formulated by Blombergen, McConnell, Solomon, Berkheyn and other researchers. However, wide application of HFC specifics for the solution of diverse chemical tasks was triggered later, after the development of a method for analysis of NMR spectra transformed by additives of paramagnetic complexes. The book consists of three chapters. Chapter 1 discloses the fundamentals of high resolution NMR spectra transformed by hyperfine coupling. The two other chapters illustrate fruitfulness and prospects of the application of NMR phenomenon in paramagnetic systems for studying molecular structure. Examples of specific spectra, analyzed in the monograph, are selected in such a way that they could help a reader understand a circle of possible problems which are solved using peculiarities of the NMR phenomenon in paramagnetic systems. The same examples also illustrate the techniques which can be employed for obtaining information on the molecular structure of both ligands and complexes using their NMR spectra transformed by hyperfine coupling.

High Resolution NMR Spectroscopy of Synthetic Polymers in Bulk

High Resolution NMR Spectroscopy of Synthetic Polymers in Bulk Book
Author : Richard A. Komoroski
Publisher : Vch Pub
Release : 1986
ISBN : 0987650XXX
Language : En, Es, Fr & De

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Book Description :

Download High Resolution NMR Spectroscopy of Synthetic Polymers in Bulk book written by Richard A. Komoroski, available in PDF, EPUB, and Kindle, or read full book online anywhere and anytime. Compatible with any devices.

NMR

NMR Book
Author : Anonim
Publisher : Unknown
Release : 1976
ISBN : 9783540077046
Language : En, Es, Fr & De

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Book Description :

Download NMR book written by , available in PDF, EPUB, and Kindle, or read full book online anywhere and anytime. Compatible with any devices.