Practical Guide and Spectral Atlas for Interpretive Near
Practical Guide and Spectral Atlas for Interpretive Near
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DOI：
10.1201/b11894
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发表时间：
2012-04
影响因子：
3.2
通讯作者：
Jerry Workman;L. Weyer
中科院分区：
文献类型：
--
作者：
Jerry Workman;L. Weyer
介绍近红外光谱分子光谱振动能级光谱响应和分子浓度分子振动的名义拉伸振动弯曲近红外光谱的起始群理论旋转轴反射平面反转中心不正确的旋转轴点群定义一个群使用矩阵运算光谱测量的实用方面近红外吸收带的类型红外光谱的性质近红外能量简正模理论（理想谐振子）谐振子或简正模的非谐振子图解非谐振子局域模理论的选择定则图解（莫尔斯振子）解释近红外光谱群频耦合振动费米共振（或二阶耦合）工具和技术用于双谱带位置参考烷烃和环烷烃C-H官能团甲基、CH 3亚甲基、CH 2第一泛音区域：直链分子次甲基模型化合物比较参考烯烃和炔烃直链烯烃、泛链烯烃、组合/弯曲模式环状双键二烯炔和联烯参考芳香族化合物苯取代的芳香族化合物：烷基取代的芳香族化合物：非烷基其它芳族化合物参考文献含羟基化合物O-H官能团多羟基化合物羧酸中的氢过氧化物OH硅烷醇硝酸和亚硝酸烯醇和烯醇化物参考文献水水作为H2O液态水、冰和水蒸气氧化氘（D2 O）在各种溶剂中的水其它基质中的水，包括玻璃水中的离子物质参考文献羰基有机羰基化合物：有机羰基化合物：组合带碳酸酯异氰酸酯参考胺和酰胺N-H官能团脂肪族胺：泛音区域芳香族胺：泛音氨脂肪族和芳香族酰胺：泛音酰胺：环状（内酰胺）参考文献P-H和S-H P-H S-H参考文献碳水化合物介绍纤维素和纤维素化合物水溶液中的葡萄糖参考文献氨基酸，肽和蛋白质结构参考文献合成聚合物介绍聚合物弹性体环氧树脂聚合物特性通过NIR确认参考文献近红外应用历史近红外用于工业化学品的历史近红外用于食品和农业的历史近红外用于药物的历史参考文献附录近红外吸收带图表概述光谱-结构相关性详细的光谱-结构相关性：从10500 cm-1到3800 cm-1（952 nm到2632 nm）的重叠光谱近红外光谱的光谱-结构相关性按官能团或比较系列分类的光谱索引按化合物名称的字母数字顺序分类的光谱索引按分子式（碳数）分类的光谱索引按分子式的字母顺序与结构式分类的光谱索引给定索引
Introduction to Near-Infrared Spectra Molecular Spectra Vibrational Energy Levels Spectral Response and Molecular Concentration Nomenclature of Molecular Vibrations Stretching Vibrations Bending Beginning Group Theory for Near-Infrared Spectra Rotational Axes Reflection Planes Inversion Centers Improper Rotational Axes Point Groups Defining a Group Using Matrix Operations Practical Aspects for Spectral Measurements Types of Near-Infrared Absorption Bands Properties of Infrared-Near Infrared Energy Normal Mode Theory (The Ideal Harmonic Oscillator) The Anharmonic Oscillator Illustration of the Harmonic Oscillator or Normal Mode The Selection Rule Illustration of the Anharmonic Oscillator Local Mode Theory (Morse Oscillator) Interpretive Near-Infrared Spectroscopy Group Frequencies Coupling of Vibrations Fermi Resonance (or Second-Order Coupling) Tools and Techniques for Assigning Band Locations References Alkanes and Cycloalkanes C-H Functional Groups Methyl Groups, CH3 Methylene Groups, CH2 First Overtone Region: Linear Molecules Methine Groups Model Compound Comparisons References Alkenes and Alkynes Linear Alkenes, Overtones Linear Alkenes, Combinations/Bending Modes Cyclic Double Bonds Dienes Alkynes and Allenes References Aromatic Compounds Benzene Substituted Aromatics: Alkyl Substituted Aromatics: Nonalkyl Other Aromatic Compounds References Hydroxyl-Containing Compounds O-H Functional Groups Multiple Hydroxyl Compounds Hydroperoxides OH in Carboxylic Acids Silanols Nitric and Nitrous Acids Enols and Enolates References Water Water as H2O Liquid Water, Ice, and Water Vapor Deuterium Oxide (D2O) Water in Various Solvents Water in Other Matrices, Including Glasses Ionic Species in Water References Carbonyls Organic Carbonyl Compounds: Overtones Organic Carbonyl Compounds: Combination Bands Carbonate Isocyanates References Amines and Amides N-H Functional Groups Aliphatic Amines: Overtone Regions Aromatic Amines: Overtones Ammonia Aliphatic and Aromatic Amides: Overtones Amides: Cyclic (Lactams) References P-H and S-H P-H S-H References Carbohydrates Introduction Cellulose and Cellulosic Compounds Glucose in Aqueous Solution References Amino Acids, Peptides, and Proteins Proteins Protein Structure References Synthetic Polymers Introduction Polymers Elastomers Epoxy Resins Polymer Properties Determined by NIR Acknowledgment References History of Near-Infrared Applications History of NIR for Industrial Chemicals History of NIR for Food and Agriculture History of NIR for Pharmaceuticals References Appendices NIR Absorption Band Charts Overview Spectra-Structure Correlations Detailed Spectra-Structure Correlations: Overlapping Spectra from 10500 cm-1 to 3800 cm-1 (952 nm to 2632 nm) Spectra-Structure Correlations for Near Infrared Spectra Index by Functional Group or Comparison Series Group Spectra Index by Alpha-Numerical Order of Compound Name Spectra Index by Molecular Formula (Carbon Number) Spectra Index Alphabetical by Molecular Formula with Structural Formula Given Index