Practical Guide and Spectral Atlas for Interpretive Near-Infrared Spectroscopy, Second Edition

Interpretive spectroscopy provides a basis for the establishment of cause-and-effect relationships between NIR spectrometer response and the chemical properties of the samples. Without established cause-effect relationships, the measured data has no true predictive significance. This interpretive process is key for achieving an analytical understanding of the measurement.

In the expanded second edition of Practical Guide and Spectral Atlas for Interpretive Near-Infrared Spectroscopy, the authors include new research, editorials, supplements, and molecular structural formulas, along with updated references and information on NIR spectra. The thoroughly updated and revised second edition offers a full library of color spectra in a larger format to ensure clarity and reader comprehension.
Providing a rich set of reference information required to interpret NIR spectra for research and industrial applications, this book:


Offers more than 300 figures representing all the major functional groups and their NIR frequency ranges
Contains over 120 pages of tables and charts illustrating overlapping spectra
Covers NIR spectra for organic compounds, including alkanes, carboxylic acids, amines, dienes, alkynes, heterocyclic compounds, amino acids, and aldehydes
Provides comprehensive appendices with spectra-structure correlations, example spectra, and other useful data for interpreting NIR spectra

Jerry Workman is with Unity Scientific LLC, Brookfield, Connecticut, USA.
Lois Weyer resides in Landenberg, Pennsylvania, USA.

Introduction to Near-Infrared SpectraMolecular SpectraVibrational Energy LevelsSpectral Response and Molecular ConcentrationNomenclature of Molecular VibrationsStretching VibrationsBendingBeginning Group Theory for Near-Infrared SpectraRotational AxesReflection PlanesInversion CentersImproper Rotational AxesPoint GroupsDefining a Group Using Matrix OperationsPractical Aspects for Spectral MeasurementsTypes of Near-Infrared Absorption BandsProperties of Infrared-Near Infrared EnergyNormal Mode Theory (The Ideal Harmonic Oscillator)The Anharmonic OscillatorIllustration of the Harmonic Oscillator or Normal ModeThe Selection RuleIllustration of the Anharmonic OscillatorLocal Mode Theory (Morse Oscillator)Interpretive Near-Infrared SpectroscopyGroup FrequenciesCoupling of VibrationsFermi Resonance (or Second-Order Coupling)Tools and Techniques for Assigning Band LocationsReferences
Alkanes and CycloalkanesC-H Functional GroupsMethyl Groups, CH3Methylene Groups, CH2First Overtone Region: Linear MoleculesMethine GroupsModel Compound ComparisonsReferences
Alkenes and AlkynesLinear Alkenes, OvertonesLinear Alkenes, Combinations/Bending ModesCyclic Double BondsDienesAlkynes and AllenesReferences
Aromatic CompoundsBenzeneSubstituted Aromatics: AlkylSubstituted Aromatics: NonalkylOther Aromatic CompoundsReferences
Hydroxyl-Containing CompoundsO-H Functional GroupsMultiple Hydroxyl CompoundsHydroperoxidesOH in Carboxylic AcidsSilanolsNitric and Nitrous AcidsEnols and EnolatesReferences
WaterWater as H2OLiquid Water, Ice, and Water VaporDeuterium Oxide (D2O)Water in Various SolventsWater in Other Matrices, Including GlassesIonic Species in WaterReferences
CarbonylsOrganic Carbonyl Compounds: OvertonesOrganic Carbonyl Compounds: Combination BandsCarbonateIsocyanatesReferences
Amines and AmidesN-H Functional GroupsAliphatic Amines: Overtone RegionsAromatic Amines: OvertonesAmmoniaAliphatic and Aromatic Amides: OvertonesAmides: Cyclic (Lactams)References
P-H and S-HP-HS-HReferences
CarbohydratesIntroductionCellulose and Cellulosic CompoundsGlucose in Aqueous SolutionReferences
Amino Acids, Peptides, and ProteinsProteinsProtein StructureReferences
Synthetic PolymersIntroductionPolymersElastomersEpoxy ResinsPolymer Properties Determined by NIRAcknowledgmentReferences
History of Near-Infrared ApplicationsHistory of NIR for Industrial ChemicalsHistory of NIR for Food and AgricultureHistory of NIR for PharmaceuticalsReferences
AppendicesNIR Absorption Band Charts OverviewSpectra–Structure CorrelationsDetailed Spectra–Structure Correlations: Overlapping Spectra from 10500 cm–1 to 3800 cm–1 (952 nm to 2632 nm)Spectra–Structure Correlations for Near InfraredSpectra Index by Functional Group or Comparison Series GroupSpectra Index by Alpha-Numerical Order of Compound NameSpectra Index by Molecular Formula (Carbon Number)Spectra Index Alphabetical by Molecular Formula with Structural Formula Given
Index