CRC Handbook of Fundamental Spectroscopic Correlation Charts  book cover
1st Edition

CRC Handbook of Fundamental Spectroscopic Correlation Charts

ISBN 9780849332500
Published October 31, 2005 by CRC Press
240 Pages 125 B/W Illustrations

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Book Description

From forensics and security to pharmaceuticals and environmental applications, spectroscopic detection is one of the most cost-effective methods for identifying chemical compounds in a wide range of disciplines. For spectroscopic information, correlation charts are far more easily used than tables, especially for scientists and students whose own areas of specialization may lie elsewhere. The CRC Handbook of Fundamental Spectroscopic Correlation Charts provides a collection of spectroscopic information and unique correlation charts for use in the interpretation of spectroscopic measurements.

The handbook presents useful analysis and assignment of spectra and structural elucidation of organic and organometallic molecules. The correlation charts are compiled from an extensive search of spectroscopic literature and contain current, detailed information that includes new results for many compounds. The handbook includes graphical data charts for nuclear magnetic resonance spectroscopy of the most useful nuclei, as well as infrared and ultraviolet spectrophotometry. Because mass spectrometry data is not best represented graphically, the data are presented in tabular form, where mass spectrometry can be used for analyses and structural determinations in tandem with other techniques. In addition to presenting absorption bands and intensities for a variety of important functional groups and chemical families, the book also discusses instrument calibration, diagnostics, common solvents, fragmentation patterns, several practical conversion tables, and laboratory safety.

Not intended to replace reference works that provide exhaustive spectral charts on specific compound classes, this book fills the need for fundamental charts that are needed on a general, day-to-day basis. The CRC Handbook of Fundamental Spectroscopic Correlation Charts is an ideal laboratory companion for students and professionals in academic, industrial, and government labs.

Table of Contents

Ultraviolet-Visible Spectrophotometry
Correlation Charts for Ultraviolet-Visible Spectrophotometry
Woodward's Rules for Bathochromic Shifts
Solvents for Ultraviolet Spectrophotometry
Transmittance-Absorbance Conversion
Calibration of Ultraviolet-Visible Spectrophotometers

Infrared Spectrophotometry
Infrared Absorption Correlation Charts
Legend for Correlation Charts
Aromatic Substitution Bands
Carbonyl Absorptions
Near-Infrared Absorptions
Inorganic Group Absorptions
Useful Solvents for Infrared Spectrophotometry
Acetonitrile, CH3CN
Benzene, C6H6
Bromoform, CHBr3
Carbon Disulfide, CS2
Carbon Tetrachloride, CCl4
Chloroform, CHCl3
Cyclohexane, C6
Dimethyl Sulfoxide, (CH3)2SO
1,4-Dioxane, OCH2CH2OCH2CH2
Ethyl Acetate, CH3COOC2H5
n-Hexane, CH3(CH2)4CH3
Isopropanol, (CH3)2CHOH
Methyl Ethyl Ketone, CH3COC2H5
n-Octane, CH3(CH2)6CH3
Tetrahydrofuran, CH2(CH2)2CH2O
Toluene, CH3C6H5
Paraffin Oil
Fluorolube™, Polytrifluorochloroethylene, [-C2ClF3-]
Polystyrene Wavenumber Calibration
Wavelength-Wavenumber Conversion Table
Diagnostic Spectra

Nuclear Magnetic Resonance
Chemical-Shift Ranges of Some Nuclei
Reference Standards for Selected Nuclei
1H and 13C Chemical Shifts of Useful NMR Solvents
Proton-NMR Absorptions of Major Functional Groups
Some Useful 1H Coupling Constants
Additivity Rules in 13C -NMR Correlation Tables
13C -NMR Absorptions of Major Functional Groups
15N Chemical Shifts for Common Standards
15N Chemical Shifts of Major Functional Groups
Spin-Spin Coupling to 15N
19F Chemical-Shift Ranges
19F Chemical-Shift Ranges of Some Fluorine-Containing Compounds
Fluorine Coupling Constants
31P-NMR Absorptions of Representative Compounds
29Si-NMR Absorptions of Major Chemical Families
119Sn-NMR Absorptions of Major Chemical Families

Mass Spectrometry
Natural Abundance of Important Isotopes
Rules for Determination of Molecular Formula
Neutral Moieties Ejected from Substituted Benzene Ring Compounds
Order of Fragmentation Initiated by the Presence of a Substituent on a Benzene Ring
Chlorine-Bromine Combination Isotope Intensities
Reference Compounds Under Electron-Impact Conditions in Mass Spectrometry
Major Reference Masses in the Spectrum of Heptacosafluorotributylamine (Perfluorotributylamine)
Common Fragmentation Patterns of Families of Organic Compounds
Common Fragments Lost
Important Peaks in the Mass Spectra of Common Solvents
Detection of Leaks in Mass Spectrometer Systems

Laboratory Safety
Major Chemical Incompatibilities
Abbreviations Used in the Assessment and Presentation of Laboratory Hazards
Characteristics of Chemical-Resistant Materials
Selection of Protective Laboratory Garments
Protective Clothing Levels
Selection of Laboratory Gloves
Selection of Respirator Cartridges and Filters
Standard CGA Fittings for Compressed-Gas Cylinders
Gas-Cylinder-Stamped Markings

Unit Conversions and Physical Constants
Unit Conversions
Recommended Values of Selected Physical Constants

Subject Index

Chemical Compound Index

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Author - Thomas J.  Bruno

Thomas J. Bruno

Group Leader, National Institute of Standards and Technology
Boulder, Colorado, USA

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