High Resolution Nuclear Magnetic Resonance Spectroscopy
Volume 2
- 1st Edition - October 22, 2013
- Latest edition
- Authors: J. W. Emsley, J Feeney, L H Sutcliffe
- Language: English
High Resolution Nuclear Magnetic Resonance Spectroscopy, Volume 2 provides a comprehensive coverage of the theories and methods for analysis of high resolution spectra. The title… Read more
High Resolution Nuclear Magnetic Resonance Spectroscopy, Volume 2 provides a comprehensive coverage of the theories and methods for analysis of high resolution spectra. The title also presents a discourse on other variables that affect the spectra. The text first details the correlations of 1H resonance spectral parameters with molecular structure, and then proceeds to tackling the 19F nuclear magnetic resonance studies. Next, the selection deals with the NMR spectra of nuclei other than hydrogen fluoride. The text also provides data sets, such as nuclear properties, T-values, and chemical shifts. The book will be of great use to scientists who utilize nuclear magnetic resonance in their work.
Foreword
Preface
10. Correlations of 1H Resonance Spectral Parameters with Molecular Structure
Alkanes
10.1 Chemical Shifts of Alkane Derivatives
10.1.1 Correlation of Electronegativity of Substituents with 1H Chemical Shifts of Methyl Derivatives, CH3X
10.1.2 Correlation of Chemical Shift Parameters with the Electronegativity of Substituents in Ethyl Derivatives
10.1.3 Propyl and Isopropyl Derivatives
10.1.4 Contributions to the Shielding of Hydrogen Nuclei from C-H and C-C Bond Anisotropic Effects
10.2 Spin-Spin Coupling Constants in Alkane Derivatives
10.2.1 Coupling Constants between Geminal Hydrogen Nuclei on Saturated Carbon Atoms
10.2.2 Coupling Constants between Hydrogen Nuclei on Adjacent Carbon Atoms
10.2.3 Signs of H-H Coupling Constants
10.2.4 Long Range Coupling Constants between Hydrogen Cuclei in Saturated Systems
10.3 Miscellaneous Alkyl Compounds
10.3.1 Group IVB Methyl Derivatives
10.3.2 Alkyl Derivatives of Elements having Nuclear Magnetic Moments
10.3.3 Miscellaneous Metal Alkyl Derivatives
10.3.4 2,3-Disubstituted Butanes
10.3.5 Cyclopropane and Its Derivatives
10.3.6 Cyclohexane Derivatives
Alkenes
10.4 Vinyl Derivatives, CH2=CHX
10.4.1 Correlation between Geminal Coupling Constants, JGEM/HH, and the H-C-H Bond Angles
10.4.2 Vicinal Coupling Constants in Alkenes
10.4.3 Correlation between Coupling Constants and the Electronegativities of the Substituents in Vinyl Derivatives
10.4.4 Changes in Chemical Shifts in Vinyl Groups with Changes in the Electronegativity of the Substituents
10.4.5 Correlation of Chemical Shifts in Vinyl Systems with Hammett α-Constants
10.4.6 Correlation of Chemical Shifts in Vinyl Systems with Group Dipole Moments
10.4.7 Anomalous 1H Chemical Shifts in Vinyl Systems
10.4.8 Vinyl Chloride and Chloroethylenes
10.4.9 Propene-1, Butene-1 and Hexene-1
10.4.10 Spin Coupling Constants in Alkene-1 Derivatives
10.5 Disubstituted Olefines
10.5.1 Cis- and Trans-Disubstituted Olefines
10.5.2 2-Substituted Propenes
10.5.3 2,3-Disubstituted Propenes
10.5.4 The Effects of Methyl Group Substitution on the 1H Resonance Spectra of Ethylenic Molecules
10.6 Trisubstituted Olefines
10.6.1 1-Substituted Isobutenes
10.6.2 αß-Unsaturated Esters
10.7 Long Range Spin Coupling via Olefinic Systems
10.8 Miscellaneous Olefines
10.8.1 Conjugated Dienes
10.8.2 Metal Alkene Derivatives
10.8.3 Methyl Groups in Conjugated Polyenes
10.8.4 Induced Ring Currents in Annulenes
Acetylenes
10.9 Acetylene and Related Molecules
10.9.1 Propargyl Kalides, XCH2C=CH
10.10 Spin-Spin Coupling Constants in Acetylenic Systems
10.11 Solvent Effects on the Chemical Shifts of Hydrogen Nuclei in Acetylenic Molecules
Aromatic Molecules
10.12 Benzene Derivatives
10.12.1 The Effects of Solvents on the Resonance Spectra of Aromatic Compounds
10.12.2 Mono-substituted Benzenes
10.12.3 Correlation of 1H Chemical Shifts in Mono-substituted Benzenes with Hammett σ-Constants
10.12.4 Disubstituted Benzene Derivatives
10.12.5 Halogenated Benzene Derivatives
10.12.6 Substituted Xylenes
10.12.7 Hydroxy Benzenes
10.12.8 Aromatic Alkoxy Compounds
10.12.9 Aromatic Aldehydes
10.12.10 Trisubstituted Benzenes
10.12.11 Biphenyls
10.12.12 Indene
10.12.13 Aromatic Ring Currents
10.13 Polynuclear Aromatic Molecules
10.14 Spin-Spin Coupling in Aromatic Molecules
10.15 Aromatic Ions
10.15.1 Triaryl Carbonium Ions
10.15.2 9,10-Dimethyl-1,2-Benzanthracene Carbonium Ion and Other Aromatic Carbonium Ions
10.15.3 Azulinium Ion and Related Species
10.15.4 Cyclopentadienyl Anion (C5H-5) and Tropylinium Cation (C7H+7)
Heterocyclic Compounds
10.16 Furan and Substituted Furans
10.17 Pyrrole and Substituted Pyrroles
10.17.1 Chemical Shifts in pyrroles 789
10.17.2 Porphyrins
10.17.3 Indoles
10.18 Pyridine and Related Molecules
10.19 The Effects of Solvents on the 1H Resonance Spectra of Unsaturated Heterocyclic Ring Compounds
10.20 Quinolines
10.21 Thiophene and Substituted Thiophenes
10.22 Thiazoles and Methyl Substituted Thiazoles
Large Complex Organic Molecules
10.23 Alkaloids
Lunacrine
Limine
10.24 Steroids
10.25 Fatty Acids
10.26 Amino Acids and Peptides
10.27 Miscellaneous Studies
10.28 Detection of C-Methyl Groups by NMR
Hydrogen Atoms Attached to Atoms Other than Carbon
10.29 Hydrogen Attached to Oxygen Atoms
10.30 Hydrogen Attached to Nitrogen Atoms
10.31 Hydrogen Attached to Boron Atoms
10.32 Hydrogen Attached to Sulfur Atoms
10.33 Hydrogen Attached to Silicon Atoms
10.34 Hydrogen Attached to Germanium, Tin and Lead Atoms
10.35 Hydrogen Attached to Transition Metal Atoms
Miscellaneous Studies
10.36 Contact Chemical Shifts in Paramagnetic Species
10.37 NMR Studies of High Polymer Solutions
10.37.1 Segmental Motion in Polymers
10.37.2 The Use of NMR in Determining the Molecular Structures of Polymers
10.37.3 Determination of the Stereochemical Configurations of Polymers by NMR 833
10.37.4 The Use of Spin Decoupling in the Determination of Polymer Structures
10.37.5 The Use of Deuteration in the Determination of Polymer Tacticities by NMR
10.38 Empirical Estimation of Chemical Shifts
10.39 Medium Effects in Liquids
10.39.1 The Effects of Solvents on the Resonance Spectra of Acetylenic Molecules
10.39.2 The Effects of Solvents on the Resonance Spectra of Aromatic Molecules
10.39.3 The Effects of Solvents on the Resonance Spectra of Unsaturated Heterocyclic Ring Molecules
10.40 Medium Effects in Gases
11. 19F Nuclear Magnetic Resonance Studies
11.1 Introduction
11.2 Fluorine Chemical Shifts
11.3 19F Spin-Spin Coupling Constants
Effect of Temperature on Coupling Constants
Long Range 19F Coupling Constants
11.4 Binary Fluorides
11.5 Halofluorohydrocarbons
11.6 Substituted Fluoroalkanes
11.6.1 Relative Signs of 19p Spin Coupling Constants in Fluoroalkanes
11.6.2 NMR Parameters Obtained from Conformational Studies of Substituted Ethanes
11.7 Fluorocarbon Compounds Containing Nitrogen
11.8 Other Fluorocarbon Derivatives
11.9 Perfluoroalkyl and Perfluoroacyl Metal Compound
11.10 Fluorinated Aromatic Compounds
11.10.1 19F Chemical Shifts of Benzene Derivatives
11.10.2 Spin-Spin Interaction in Fluorinated Aromatic Compounds
11.10.3 Substituted Benzotrifluorides
11.10.4 Polysubstituted Fluorobenzene Derivatives
11.10.5 Fluoronaphthalenes
11.11 Fluoroalkenes
11.11.1 Perfluorovinyl Derivatives
11.11.2 Other Fluoroalkenes
11.11.3 Coupling Constants in Fluoroalkenes
11.11.4 Relative Signs of 19F Coupling Constants in Fluoroalkenes
11.11.5 Information Obtained from Examination of the 13CF Satellites in the 19F Spectra of Fluoroalkenes
11.12 Fluoroacetylenes
11.13 Fluorinated Cyclic Compounds
11.13.1 Cyclopropane Derivatives
11.13.2 Mono- and Disubstituted Derivatives of Tetratluorocyclobutane
11.13.3 Fluorinated Cyclohexanes
11.13.4 Fluorinated Heterocyclic Compounds
11.14 Methyl and Ethyl Fluorosilanes RxSiF4-x
11.15 Antimony Pentafluoride
11.16 Compounds Containing Fluorine-Sulfur Bonds
11.16.1 Sulfur Hexafluoride and Its Monosubstituted Derivatives
11.16.2 Disubstituted Derivatives of Sulfur Hexafluoride
11.16.3 Sulfur Tetrafluoride, SF4
11.16.4 Perfluoroalkyl Derivatives of SF4
11.17 Other Fluorine-Sulfur Containing Compounds
(A) Fluorine Fluorosulphonate
(B) Thionyl Tetrafluoride
(C) Pentafluoro Sulfur Hypofluorite
(D) S3O8F2
(E) Thiocarboxylic Acids
(F) Thioalcohols
11.18 Interhalogen Compounds
11.18.1 Chlorine Trifluoride
11.18.2 Bromine Trifluoride
11.18.3 Iodine and Bromine Pentafluorides
11.18.4 Perchloryl Fluoride, FClO3, and Related Compounds
11.19 Compounds Containing Boron-Fluorine Bonds
11.19.1 Boron Trifluoride and Related Compounds
11.19.2 The Bf-4 ion
11.20 Compounds Containing Nitrogen-Fluorine Bonds
11.21 Compounds Containing Oxygen-Fluorine Bonds
11.22 Compounds Containing Phosphorus-Fluorine Bonds
11.23 Complex Compounds
11.23.1 Complexes of Boron Trifluoride
11.23.2 Complexes of Metal Tetrafluorides
11.23.3 Other Metal Fluoride Complexes
11.24 Fluorine-Containing Polymers
11.25 Miscellaneous Studies
12. NMR Spectra of Nuclei Other than Hydrogen and Fluorine
12.1 Boron
12.1.1 11B Chemical Shifts
12.1.2 11B-1H Spin-Spin Interaction
12.1.3 Boron Hydrides
12.1.4 Borohydrides
12.1.5 Other Boron Resonance Studies
12.2 Carbon
12.2.1 Experimental Procedures for 13C Resonance Measurements
12.2.2 13C Chemical Shifts
12.2.3 Correlation of 13C Chemical Shifts with Electronegativities of Groups Attached to Carbon Atoms
12.2.4 Methyl and Ethyl Derivatives of Group IV Elements
12.2.5 Alkenes
12.2.6 Acetylenes
12.2.7 Aromatic Compounds
12.2.8 Pyridine and Substituted Pyridines
12.2.9 13C Chemical Shifts of Carbonyl Groups
12.2.10 Miscellaneous Studies
12.2.11 Spin-Spin Interaction between AH and 13C Nuclei
12.2.12 Additivity Effects in 1H-13C and in 19F-13C Coupling Constants
12.2.13 JCH Additivity Relationship for Sp2 Hybridized Carbon Atoms
12.2.14 Relationship of JCH with JHHvic and JHHgem Values in Ethylenes
12.2.15 Correlation between 1H-13C Coupling Constants and 1H Chemical Shifts
12.2.16 13C—19F Coupling Constants
12.2.17 13CH Satellite Spectra of Symmetrically Substituted Benzenes
12.2.18 Long Range 13C—1H Coupling Constants
12.2.19 13C—13C Spin Coupling Constants
12.2.20 Miscellaneous 13C—1H Coupling Constants
12.3 Nitrogen
12.3.1 14N Chemical Shifts
12.3.2 NMR Effects Associated with the Quadrupole Moment of the Nitrogen Nucleus
12.3.3 Long Range 1H—14N Spin Coupling Constants
12.3.4 Structure Determinations Using 14N Resonance
12.4 Oxygen
12.4.1 17O Chemical Shifts
12.4.2 Effects of Paramagnetic Ions on 17O Chemical Shifts
12.4.3 1H—17O Spin Coupling in Water
12.5 Silicon
12.5.1 29Si Chemical Shifts
12.5.2 Spin Coupling Constants Involving 29Si Nuclei
12.6 Phosphorus
12.6.1 31P Chemical Shifts
12.6.2 Spin-Spin Interactions Involving 31P Nuclei
12.6.3 Applications of 31P Resonance to Structure Determinations
12.6.4 Quantitative Analysis
12.7 Cobalt
12.7.1 59Co Chemical Shifts
12.7.2 Rate Processes Involving Cobalt
12.8 Tin
12.8.1 119Sn Chemical Shifts
12.8.2 Mixed Tin(IV) Halides
12.8.3 119Sn Spin-spin Coupling Constants
12.9 Thallium
12.9.1 205Tl Chemical Shifts
12.9.2 Spin-spin Coupling Involving Thallium
12.9.3 Structure of Thallous Ethoxide, TlOC2H3
12.10 Miscellaneous Nuclei
12.10.1 Deuterium
12.10.2 Alkali Metals
12.10.3 Aluminum, 27Al
12.10.4 Halogens
12.10.5 Copper, 63Cu
12.10.6 Arsenic, 75As
12.10.7 Selenium, 77Se
12.10.8 Antimony, 121Sb
12.10.9 Platinum, 195 Pt
12.10.10 Mercury, 199Hg and 201Hg
12.10.11 Lead, 207Pb
12.10.12 Niobium, 93Nb
12.10.13 Nuclear Magnetic Moments
Appendix A Table of Nuclear Properties
Appendix B Table of τ-Values for a Variety of Organic Compounds
Appendix C Charts of 1H Chemical Shifts and Coupling Constants
Appendix D Table of 1H Chemical Shifts in some Diazo-Compounds
Appendix E Table Of Substituent Shielding Effects, S0 And Sm , in Benzenes
Appendix F Table of 31P Chemical Shifts
Name Index - Volume 2
Subject Index
- Edition: 1
- Latest edition
- Published: October 22, 2013
- Language: English
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