Practical guide and spectral atlas for interpretive near-infrared spectroscopy:
Gespeichert in:
| Hauptverfasser: | , |
|---|---|
| Format: | Buch |
| Sprache: | English |
| Veröffentlicht: |
Boca Raton, Fla. [u.a.]
CRC Press, Taylor & Francis Group
2012
|
| Ausgabe: | 2. ed. |
| Schlagworte: | |
| Online-Zugang: | Inhaltsverzeichnis Klappentext |
| Beschreibung: | Frühere Aufl. u. d. T.: Practical guide to interpretive near-infrared spectroscopy |
| Beschreibung: | XVI, 309 S. zahlr. graph. Darst. |
| ISBN: | 9781439875254 |
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| 245 | 1 | 0 | |a Practical guide and spectral atlas for interpretive near-infrared spectroscopy |c Jerry Workman ; Lois Weyer |
| 250 | |a 2. ed. | ||
| 264 | 1 | |a Boca Raton, Fla. [u.a.] |b CRC Press, Taylor & Francis Group |c 2012 | |
| 300 | |a XVI, 309 S. |b zahlr. graph. Darst. | ||
| 336 | |b txt |2 rdacontent | ||
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| 338 | |b nc |2 rdacarrier | ||
| 500 | |a Frühere Aufl. u. d. T.: Practical guide to interpretive near-infrared spectroscopy | ||
| 650 | 4 | |a Near infrared spectroscopy | |
| 650 | 7 | |a SCIENCE / Chemistry / Analytic |2 bisacsh | |
| 650 | 7 | |a SCIENCE / Research & Methodology |2 bisacsh | |
| 650 | 7 | |a SCIENCE / Spectroscopy & Spectrum Analysis |2 bisacsh | |
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Datensatz im Suchindex
| _version_ | 1804148828522151936 |
|---|---|
| adam_text | Contents
Preface
...............................................................xi
Authors
..............................................................xv
Chapter
1
Introduction to Near-Infrared Spectra
.............................1
1.1
Molecular Spectra
.....................................................2
.2
Vibrational Energy Levels
..............................................2
.3
Spectral Response and Molecular Concentration
.............................2
.4
Nomenclature of Molecular Vibrations
.....................................3
.5
Stretching Vibrations
..................................................3
.6
Bending
.............................................................3
.7
Beginning Group Theory for Near-Infrared Spectra
..........................3
.8
Rotational Axes
.......................................................5
.9
Reflection Planes
......................................................5
.10
Inversion Centers
......................................................6
. 11
Improper Rotational Axes
...............................................6
1.12
Point Groups
.........................................................6
1.13
Defining a Group Using Matrix Operations
.................................6
1.14
Practical Aspects for Spectral Measurements
...............................6
1.15
Types of Near-Infrared Absorption Bands
..................................8
1.16
Properties of Infrared-Near-Infrared Energy
................................9
1.17
Normal Mode Theory (The Ideal Harmonic Oscillator)
.......................9
1.18
The Anharmonic Oscillator
............................................10
1.19
Illustration of the Harmonic Oscillator or Normal Mode
......................12
1.20
The Selection Rule
...................................................13
1.21
Illustration of the Anharmonic Oscillator
..................................13
1.22
Local Mode Theory (Morse Oscillator)
...................................14
1.23
Interpretive Near-Infrared Spectroscopy
..................................14
1.24
Group Frequencies
...................................................15
1.25
Coupling of Vibrations
................................................15
1.26
Fermi Resonance (or Second-Order Coupling)
.............................15
1.27
Tools and Techniques for Assigning Band Locations
.........................16
References
...............................................................17
viii
Practical
Guide and Spectral Atlas for Interpretive Near-Infrared Spectroscopy
Chapter
2
Alkanes and Cycloalkanes
..................................... 19
2.1
C
-Н
Functional Groups
................................................20
2.2
Methyl Groups, CH3
..................................................20
2.2.1
First Overtone Region
..........................................20
2.2.2
Higher-Order Overtones
........................................20
2.2.3
Combination Bands
............................................21
2.3
Methylene
Groups, CH2
...............................................23
2.3.1
First Overtone Region: Linear Molecules
...........................23
2.3.2
Higher-Order Overtones: Linear Molecules
.........................24
2.3.3
Combination Bands: Linear Molecules
.............................25
2.3.4
First Overtones: Cyclic Molecules
.................................25
2.3.5
Higher-Order Overtones: Cyclic Molecules
.........................26
2.3.6
Combination Bands: Cyclic Molecules
.............................26
2.4
Methine Groups
.....................................................26
2.5
Model Compound Comparisons
.........................................26
References
...............................................................31
Chapter
3
Alkenes and Alkynes
.........................................33
3.1
Linear Alkenes, Overtones
.............................................34
3.2
Linear Alkenes, Combinations/Bending Modes
.............................34
3.3
Cyclic Double Bonds
..................................................35
3.4
Dienes
.............................................................36
3.5
Alkynes and
Alienes
..................................................36
References
...............................................................37
Chapter
4
Aromatic Compounds
........................................39
4.1
Benzene
............................................................40
4.2
Substituted Aromatics:
Alkyl
...........................................42
4.3
Substituted Aromatics: Nonalkyl
........................................42
4.4
Other Aromatic Compounds
............................................43
References
...............................................................44
Chapter
5
Hydroxyl-Containing Compounds
...............................45
5.1
О
-H
Functional Groups
................................................46
5.2
О
-H
in Alcohols
.....................................................46
5.2.1
Alcohols, First Overtone Region
..................................46
5.2.2
Higher-Order Overtones
........................................47
5.2.3
Combination Bands
............................................47
5.3
Phenols
............................................................48
5.3.1
Phenols: Overtones
............................................48
5.3.2
Phenols Combinations
..........................................49
5.4
Multiple Hydroxyl Compounds
..........................................49
5.5 Hydroperoxides......................................................49
5.6 OH in Carboxylic
Acids...............................................
50
5.6.1
Overtones
....................................................50
5.6.2
OH in Carboxylic
Acids, Combination Bands
........................50
5.7
Silanols
............................................................51
5.8
Nitric and Nitrous Acids
...............................................52
5.9
Enols and Enolates
...................................................52
References
...............................................................52
Chapter
6
Water
.....................................................55
6.1
Water as H2O
........................................................56
6.2
Liquid Water, Ice, and Water Vapor
......................................56
6.3
Deuterium Oxide
(D2O)
...............................................57
6.4
Water in Various Solvents
..............................................58
6.5
Water in Other Matrices, Including Glasses
................................58
6.6
Ionic Species in Water
.................................................58
References
...............................................................60
Chapter
7
Carbonyls
..................................................63
7.1
Organic Carbonyl Compounds: Overtones
.................................64
7.2
Organic Carbonyl Compounds: Combination Bands
.........................65
7.3
Carbonate
..........................................................65
7.4
Isocyanates
.........................................................66
References
...............................................................66
Chapter
8
Amines and Amides
..........................................67
8.1
N-H Functional Groups
................................................68
8.2
Aliphatic Amines: Overtone Regions
.....................................68
8.2.1
Combinations
.................................................68
8.3
Aromatic Amines: Overtones
...........................................69
8.3.1
Combinations
.................................................70
8.4
Ammonia
...........................................................70
8.5
Aliphatic and Aromatic Amides: Overtones
................................70
8.5.1
Amides: Combinations
..........................................71
8.6
Amides: Cyclic (Lactams)
..............................................73
References
...............................................................73
Chapter
9
P
-Н
and S-H
................................................75
9.1
P-H
...............................................................76
9.2
S-H
...............................................................76
References
...............................................................76
χ
Practical
Guide and Spectral Atlas for Interpretive Near-Infrared Spectroscopy
Chapter
10
Carbohydrates
..............................................77
10.1
Introduction
.........................................................78
10.2
Cellulose and Cellulosic Compounds
.....................................78
10.3
Glucose in Aqueous Solution
...........................................79
References
...............................................................80
Chapter
11
Amino
Acids, Peptides, and Proteins
............................81
11.1
Proteins
............................................................82
11.2
Protein Structure
.....................................................82
References
...............................................................85
Chapter
12
Synthetic Polymers
..........................................87
12.1
Introduction
.........................................................88
12.2
Polymers
...........................................................88
12.3
Elastomers
..........................................................88
12.4
Epoxy Resins
........................................................89
12.5
Polymer Properties Determined by NIR
...................................94
Acknowledgment
..........................................................95
References
...............................................................96
Chapter
13
History of Near-Infrared Applications
...........................97
13.1
History of NIR for Industrial Chemicals
..................................98
13.2
History of NIR for Food and Agriculture
..................................98
13.3
History of NIR for Pharmaceuticals
.........................................99
References
..............................................................100
Appendix A NIR Absorption Band Charts Overview
....................... 103
Appendix
В
Spectra-Structure Correlations
..............................106
Labeled Spectra from
10500
cm 1 to
6300
cnr
(952
nm to
1587
nm)
................107
Labeled Spectra from
7200
cm1 to
3800
cnr1
(1389
nm to
2632
nm)
................153
Appendix
С
Detailed Spectra-Structure Correlations: Overlapping Spectra
from
10500
cm-1 to
3800
cm-
(952
nm to
2632
nm)
.......................... 195
Appendix
D
Spectra-Structure Correlations for Near Infrared
................ 227
Appendix
E
Spectra Index by Functional Group or Comparison Series Group
.... 267
Appendix
F
Spectra Index by Alpha-Numerical Order of Compound Name
..... 275
Appendix
G
Spectra Index by Molecular Formula (Carbon Number)
........... 283
Appendix
H
Spectra Index Alphabetical by Molecular Formula with
Structural Formula Given
..............................................293
Index
..............................................................303
Analytical Chemistry
Practical Guide and Spectral
Atlas for Interpretive
Near-Infrared Spectroscopy
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 four-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
|
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| id | DE-604.BV039882981 |
| illustrated | Illustrated |
| indexdate | 2024-07-10T00:13:20Z |
| institution | BVB |
| isbn | 9781439875254 |
| language | English |
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| publisher | CRC Press, Taylor & Francis Group |
| record_format | marc |
| spelling | Workman, Jerry Verfasser aut Practical guide and spectral atlas for interpretive near-infrared spectroscopy Jerry Workman ; Lois Weyer 2. ed. Boca Raton, Fla. [u.a.] CRC Press, Taylor & Francis Group 2012 XVI, 309 S. zahlr. graph. Darst. txt rdacontent n rdamedia nc rdacarrier Frühere Aufl. u. d. T.: Practical guide to interpretive near-infrared spectroscopy Near infrared spectroscopy SCIENCE / Chemistry / Analytic bisacsh SCIENCE / Research & Methodology bisacsh SCIENCE / Spectroscopy & Spectrum Analysis bisacsh Chemie NIR (DE-588)4337336-7 gnd rswk-swf Molekülspektroskopie (DE-588)4128850-6 gnd rswk-swf Infrarotspektroskopie (DE-588)4135411-4 gnd rswk-swf NIR-Spektroskopie (DE-588)4298282-0 gnd rswk-swf NIR-Spektroskopie (DE-588)4298282-0 s DE-604 NIR (DE-588)4337336-7 s Infrarotspektroskopie (DE-588)4135411-4 s Molekülspektroskopie (DE-588)4128850-6 s Weyer, Lois Verfasser aut Digitalisierung UB Bayreuth application/pdf http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=024742165&sequence=000003&line_number=0001&func_code=DB_RECORDS&service_type=MEDIA Inhaltsverzeichnis Digitalisierung UB Bayreuth application/pdf http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=024742165&sequence=000004&line_number=0002&func_code=DB_RECORDS&service_type=MEDIA Klappentext |
| spellingShingle | Workman, Jerry Weyer, Lois Practical guide and spectral atlas for interpretive near-infrared spectroscopy Near infrared spectroscopy SCIENCE / Chemistry / Analytic bisacsh SCIENCE / Research & Methodology bisacsh SCIENCE / Spectroscopy & Spectrum Analysis bisacsh Chemie NIR (DE-588)4337336-7 gnd Molekülspektroskopie (DE-588)4128850-6 gnd Infrarotspektroskopie (DE-588)4135411-4 gnd NIR-Spektroskopie (DE-588)4298282-0 gnd |
| subject_GND | (DE-588)4337336-7 (DE-588)4128850-6 (DE-588)4135411-4 (DE-588)4298282-0 |
| title | Practical guide and spectral atlas for interpretive near-infrared spectroscopy |
| title_auth | Practical guide and spectral atlas for interpretive near-infrared spectroscopy |
| title_exact_search | Practical guide and spectral atlas for interpretive near-infrared spectroscopy |
| title_full | Practical guide and spectral atlas for interpretive near-infrared spectroscopy Jerry Workman ; Lois Weyer |
| title_fullStr | Practical guide and spectral atlas for interpretive near-infrared spectroscopy Jerry Workman ; Lois Weyer |
| title_full_unstemmed | Practical guide and spectral atlas for interpretive near-infrared spectroscopy Jerry Workman ; Lois Weyer |
| title_short | Practical guide and spectral atlas for interpretive near-infrared spectroscopy |
| title_sort | practical guide and spectral atlas for interpretive near infrared spectroscopy |
| topic | Near infrared spectroscopy SCIENCE / Chemistry / Analytic bisacsh SCIENCE / Research & Methodology bisacsh SCIENCE / Spectroscopy & Spectrum Analysis bisacsh Chemie NIR (DE-588)4337336-7 gnd Molekülspektroskopie (DE-588)4128850-6 gnd Infrarotspektroskopie (DE-588)4135411-4 gnd NIR-Spektroskopie (DE-588)4298282-0 gnd |
| topic_facet | Near infrared spectroscopy SCIENCE / Chemistry / Analytic SCIENCE / Research & Methodology SCIENCE / Spectroscopy & Spectrum Analysis Chemie NIR Molekülspektroskopie Infrarotspektroskopie NIR-Spektroskopie |
| url | http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=024742165&sequence=000003&line_number=0001&func_code=DB_RECORDS&service_type=MEDIA http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=024742165&sequence=000004&line_number=0002&func_code=DB_RECORDS&service_type=MEDIA |
| work_keys_str_mv | AT workmanjerry practicalguideandspectralatlasforinterpretivenearinfraredspectroscopy AT weyerlois practicalguideandspectralatlasforinterpretivenearinfraredspectroscopy |