IR spectroscopy: an introduction
Gespeichert in:
| Hauptverfasser: | , |
|---|---|
| Format: | Buch |
| Sprache: | English German |
| Veröffentlicht: |
Weinheim
WILEY-VCH
2002
|
| Schlagworte: | |
| Online-Zugang: | Inhaltsverzeichnis |
| Beschreibung: | XIII, 361 S. Ill., graph. Darst. |
| ISBN: | 3527288961 9783527288960 |
Internformat
MARC
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| 020 | |a 3527288961 |9 3-527-28896-1 | ||
| 020 | |a 9783527288960 |9 978-3-527-28896-0 | ||
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| 084 | |a CHE 239f |2 stub | ||
| 084 | |a PHY 120f |2 stub | ||
| 100 | 1 | |a Günzler, Helmut |e Verfasser |4 aut | |
| 240 | 1 | 0 | |a IR-Spektroskopie |
| 245 | 1 | 0 | |a IR spectroscopy |b an introduction |c Helmut Günzler ; Hans-Ulrich Gremlich. Transl.: Mary-Joan Blümich |
| 264 | 1 | |a Weinheim |b WILEY-VCH |c 2002 | |
| 300 | |a XIII, 361 S. |b Ill., graph. Darst. | ||
| 336 | |b txt |2 rdacontent | ||
| 337 | |b n |2 rdamedia | ||
| 338 | |b nc |2 rdacarrier | ||
| 650 | 4 | |a Spectroscopie infrarouge | |
| 650 | 7 | |a Spectroscopie infrarouge |2 ram | |
| 650 | 4 | |a Infrared spectroscopy | |
| 650 | 0 | 7 | |a Taschenbuch |0 (DE-588)4128856-7 |2 gnd |9 rswk-swf |
| 650 | 0 | 7 | |a Analytische Chemie |0 (DE-588)4129906-1 |2 gnd |9 rswk-swf |
| 650 | 0 | 7 | |a Infrarotspektroskopie |0 (DE-588)4135411-4 |2 gnd |9 rswk-swf |
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| 689 | 2 | 0 | |a Analytische Chemie |0 (DE-588)4129906-1 |D s |
| 689 | 2 | |8 4\p |5 DE-604 | |
| 700 | 1 | |a Gremlich, Hans-Ulrich |e Verfasser |4 aut | |
| 856 | 4 | 2 | |m Digitalisierung UB Augsburg |q application/pdf |u http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=009751413&sequence=000002&line_number=0001&func_code=DB_RECORDS&service_type=MEDIA |3 Inhaltsverzeichnis |
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Datensatz im Suchindex
| DE-BY-863_location | 1000 |
|---|---|
| DE-BY-FWS_call_number | 1000/VG 9201 G927 I6 |
| DE-BY-FWS_katkey | 192207 |
| DE-BY-FWS_media_number | 083100827908 |
| _version_ | 1806195253731917824 |
| adam_text | Contents
1
Introduction
........................ 1
1.1 Development
of the infrared Technique
...... 1
1.2
Applications of Infrared Spcctroscopy
....... 2
1.2.1
Direct Evidence on Constitution
........... 3
1.2.2
Substance Identification by Spectral Comparison
3
1.2.3
Quantitative Analysis
................... 4
1.2.4
Other Uses
.......................... 6
References
.......................... 7
2
Absorption and Molecular Design
......... 9
2.
2.
2.
2.
2.
2.
Fundamentals
........................ 9
1
Electromagnetic Radiation
............... 9
1.1
Nature of Electromagnetic Radiation
........ 9
1.2
Parameters and Units
................... 9
.1.3
Radiation Energy
..................... 11
2
Molecular Design
..................... 12
2.1.2.1
The Atom
.......................... 13
2.1.2.2
The Molecule
........................ 14
2.1.3
Infrared Absorption and the Change
in
Dipole
Moment
..................... 18
2.2
Absorption of Infrared Radiation
........... 19
2.2.1
Infrared Spectra of Diatomic Molecules
...... 19
2.2.1.1
Rotational Spectra
..................... 19
2.2.1.2
Vibrational Spectra
.................... 20
2.2.1.3
Rotational-Vibrational Spectra
............ 22
2.2.2
Infrared Spectra of Multiatomic Molecules
.... 24
2.2.2.1
Normal Modes of Vibration
.............. 24
2.2.2.2
Vibrational Modes
..................... 25
2.2.2.3
Overtones and Combination Vibrations
...... 27
2.2.2.4
Fenili
Resonance
..................... 28
2.2.2.5
Band Shape
......................... 30
2.2.2.6
Symmetry Properties of Molecules
......... 32
References
.......................... 36
3
Spectrometers
....................... 37
3.1
Design
............................. 37
3.2
Radiation Sources
..................... 40
3.3
Infrared Detectors
..................... 41
3.3.1
Thermal Detectors
..................... 43
3.3.2
Photodetectors
....................... 45
VIU
Contents
3.4
Spectral
Resolution.................... 47
3.4.1
Dispersive Spectrometers
................ 48
3.4.1.1
Diffraction Grating
.................... 48
3.4.1.2
Interference Filters
...............:.... 50
3.4.1.3
Acousto-Optical Tunable Filters (AOTFs)
..... 51
3.4.1.4
Spectral Slit Width, Resolution
............ 51
3.4.1.5
Scattered Radiation
.................... 52
3.4.2
Fourier Transform Spectrometers
........... 52
3.4.2.1
Michelson Interferometer
................ 52
3.4.2.2
Important Structural Parts of FT Spectrometers
. 60
3.4.2.3
Advantages of FT Spectrometers over Dispersive
Instruments
......................... 62
3.4.3
Acquisition of FT-IR Spectra
............. 63
3.4.3.1
Steps in Spectral Calculation
............. 63
3.4.3.2
Practical Tips for Measuring Spectra
........ 67
3.4.3.3
Photometric Accuracy of FT Spectrometers
... 69
3.5
Standard Accessories
................... 71
3.5.1
Cells
.............................. 71
3.5.1.1
Cell Windows
........................ 72
3.5.1.2
Handling-and
Care of Cell Windows
........ 75
3.5.1.3
Dismountable Cells
.................... 76
3.5.1.4
Cells with Defined Pathlength
............. 76
3.5.1.5
Cells with Variable Pathlength
............ 77
3.5.1.6
Gas Cells
........................... 78
3.5.1.7
Holder for Pellets and Films
.............. 78
3.5.1.8
Microcells and Beam Condensers
.......... 79
3.5.1.9
Cells for Measurements at Increased
and Reduced Temperature
............... 79
3.5.1.10
Cells for Studies under Pressure
........... 80
3.6
Spectral Processing
.................... 81
3.6.1
Data Reduction and Spectral Simulation
...... 82
3.6.2
Spectral Smoothening
.................. 84
3.6.3
Derivative Spectroscopy
................. 86
3.6.4
Spectral Deconvolution
(Resolution Enhancement)
............... 88
3.6.5
Further Practical Methods
for Spectral Processing
................. 89
References
.......................... 91
Sample Preparation
................... 95
General Remarks
..................... 95
Sample Quantity
...................... 95
Purity Requirements
................... 96
Spectra of Pure Compounds,
Reference Spectra
..................... 96
Moisture
........................... 96
Precautionary Measures
................. 96
Solids
............................. 97
4
4.1
4.1
.1
4.1
.2
4.1
.2.1
4.1
.3
4.1.4
4.2
Contents
w
4.2.1
КВг
Pellet
Technique
.................. 97
4.2.1.1
Materials
for Producing Pellets............
97
4.2.1.2
Handling of
Potassium
Bromide
........... 98
4.2.1.3
Pressing Tools
....................... 99
4.2.1.4
Pellet Production
...................... 99
4.2.1.5
Micropellets
......................... 100
4.2.1.6
Disturbance by the Christiansen Effect
....... 102
4.2.1.7
Disturbances by Reactions with the Embedding
Medium
............................ 103
4.2.1.8
Quantitative Analyses
.................. 104
4.2.2
Suspensions in Oil
.................... 105
4.2.3
Films from the Melt
................... 106
4.2.4
Films
.............................. 108
4.2.4.1
Pressing of Films
..................... 108
4.2.4.2
Cast Films
.......................... 108
4.2.4.3
Microtomic Sections
................... 109
4.2
A A General Tips for Producing Films
.......... 109
4.2.5
Films as Sample Substrate
............... 110
4.3
Liquids and Solutions
..................
Ill
4.3.1
Liquids
............................
Ill
4.3.2
Solutions
........................... 113
4.3.2.1
Solvents
............................ 113
4.3.2.2
Purity of the Solvents
.................. 114
4.3.2.3
Concentration Ranges
.................. 114
4.3.2.4
Production of Solutions
................. 115
4.3.2.5
Solvent Effects
....................... 115
4.3.2.6
Microtechnique for Solutions
............. 117
4.4
Gases
............................. 118
4.4.1
Filling of Gas Cells
.................... 118
4.4.2
Total Pressure Dependency
of the Absorptivity in Gas Spectra
.......... 119
4.4.3
Micromethods for Gases
................ 120
4.4.4
Trace Gas Studies
..................... 121
References
.......................... 123
5
Special Sample Techniques
.............. 125
5.1
Reflection Methods
.................... 125
5.1.1
Measurement of External Reflectance
....... 125
5.1.1.1
Fresnel Reflection
..................... 125
5.1.1.2
Reflection-Absorption Spectroscopy
........ 129
5.1.2
Attenuated Total Reflectance
............. 131
5.1.3
Diffuse Reflectance
.................... 135
5.2
Fourier Transform Infrared Microspectroscopy
. 140
5.3
Photoacoustic Detection
.................. 142
5.4
Infrared Emission Spectroscopy
........... 143
5.5
Measurements under Extreme Conditions
..... 145
5.5.1
Cryogenics
.......................... 145
5.5.2
High-Temperature Spectroscopy
........... 149
5.5.3
High-Pressure Measurements
............. 150
5.6
Measurements with Polarized Radiation
...... 151
5.7
Combination of
IR Spectroscopy
with
Chromatographie
Methods
........... 153
5.7.1
Gas Chromatography/IR Spectroscopy
....... 153
5.7.2
Thin-Layer Chromatography/IR Spectroscopy
.. 158
5.7.3
HPLC- and SFC/IR Spectroscopy
.......... 159
5.
S Vibrational
Spectroscopic Imaging
.......... 161
References
.......................... 164
6
Qualitative Spectral Interpretation
........ 171
6.1
Fundamentals
........................ 171
6.1.1
IR
Spectrum
......................... 171
6.2
Initial Inspection of Spectra
.............. 172
6.3
General Assignments
................... 176
6.3.1
The Fingerprint Region
................. 176
6.3.2
Group Frequencies
.................... 177
6.4
IR
Spectra of Individual Compound Classes
... 178
6.4.1
Alkanes
,........................... 178
6.4.2
Halogen Compounds
................... 183
6.4.3
Alkenes
............................ 185
6.4.4
Molecules with Triple Bonds
............. 19)
6.4.5
Aromatic Compounds
.................. 193
6.4.6
Ethers
............................. 196
6.4.7
Acetáis
and
Ketone
Acetáis ..............
202
6.4.8
Alcohols
........................... 203
6.4.9
Hydrogen. Bonding
.................... 206
6.4.10
Chelates
____........................ 208
6.4.11
Carbonyî
Compounds
.................. 210
6.4.11.1
Ketones
............................ 210
6.4.11.2
Aldehydes
.......................... 214
6.4.11.3
Carboxylic Acids
..................... 215
6.4.11.4
Acid Chlorides
....................... 219
6.4.11.5
Esters
............................. 219
6.4.11.6
Anhydrides
.......................... 222
6.4.11.7
Amides
. ........................... 223
6.4.11.8
Carboxylic Acid Derivatives
.............. 227
6.4.12
Nitrogen Compounds
................... 229
6.4.12.1
Amines
............................ 229
6.4.12.2
C^N-Double Bond
.................... 233
6.4.12.3
Nitro-Group
......................... 233
6.4.12.4
Organic Nitrates, Nitramines, Nitrites,
Nitrosamines
........................ 236
6.4.12.5
Azo-,
Azoxy- and Nitroso-Compounds
....... 236
6.4.13
Compounds with Cumulated Double Bonds
. . . 237
6.4.14
Aromatic Compounds:
Substituent
Effects
.... 238
6.4.14.1
Aromatic Hydrocarbons
................. 239
6.4.14.2
Aromatic Halogen Compounds
............ 240
6.4.14.3
Aromatic Ethers
...................... 240
6.4.14.4
Phenols............................
240
6.4.14.5
Aromatic
Amino
Compounds
............. 240
6.4.14.6
Aromatic
Nitro
Compounds
.............. 241
6.4.14.7
Aromatic Carbonyl Compounds
........... 241
6.4.14.8
Aromatic Conjugated Triple Bonds
and Cumulated Double Bonds
............. 243
6.4.14.9
Aromatic Oximes, Azomethines
and
Azo
Compounds
................... 243
6.4.15
Heterocydes
......................... 244
6.4.16
Boron, Silicon, Sulfur
and Phosphorus Compounds
.............. 245
6.4.16.1
Boron Compounds
.................... 245
6.4.16.2
Silicon Compounds
.................... 246
6.4.16.3
Sulfur Compounds
.................... 246
6.4.16.4
Phosphorus Compounds
................. 247
6.4.17
Inorganic Compounds
.................. 248
6.5
Causes of Band Shifts,
Effects on the Spectrum
................. 248
6.5.1
Mass Effect
......................... 248
6.5.2
Steric Interactions
..................... 251
6.5.3
Resonance Effects
..................... 252
6.5.4
Inductive Effects
...................... 252
6.5.5 Dipole-Dipole
Interactions (Field Effect)
..... 254
6.5.6
Intermolecular Interactions
............... 255
6.6
Spectral Interpretation as a Multidimensional
Task
.............................. 258
6.6.1
Band-Structure Correlations
.............. 259
6.6.2
Spectral Comparison
................... 260
6.6.3
Examples for Spectral Interpretation
........ 260
6.7
Particularities and Artifacts
............... 266
6.8
Spectral Calculation
................... 268
References
.......................... 274
7
Quantitative Spectral Assertions
.......... 279
7.1
Fundamentals
........................ 279
7.1.1
Beer s Law
.......................... 279
7.1.2
Determination of Pathlength
.............. 281
7.1.3
Determination of Absorbance
............. 283
7.1.4
Absorptivity
......................... 284
7.2
Calibration
.......................... 285
7.2.1
Baseline Correction
for Absorbance Determination
............ 285
7.2.2
Determination of Calibration Data
.......... 286
7.2.3
Multi-Component Analysis
with Separated Analytical Bands
........... 288
7.2.4
Evaluation via Relative Absorbance Values
.... 289
7.2.4.1
Quantitative Measurement of Liquids
........ 289
7.2.4.2 Quantitative
Measurement with Pellets
....... 290
7.2.5
Quantitative Gas Analysis
............... 290
7.3
Interpretation of Quantitative Results
........ 292
7.3.1
Mean Value and Standard Deviation
........ 293
7.3.2
Scattering Range of Individual Measurements
and Confidence Interval of Mean Values
..... 294
7.3.3
Random and Systematic Errors
............ 295
7.4
Calibration Functions and Confidence Intervals
. 297
7.4.1
Linear Regression
..................... 297
7.4.2
Special Method Parameters
............... 298
7.5
Multi-Component Analysis with Multivariate
Evaluation
.......................... 301
7.5.1
Classical Model Formation
............... 301
7.5.2
Statistical Model Formation
.............. 303
References
.......................... 306
8
Spectroscopy in Near- and Far-Infrared,
as well as Related Methods
............. 309
8.1
Spectral Regions Beyond Mid-Infrared
....... 309
8.1.1
Near-Infrared Spectroscopy
.............. 309
8.1.1.1
Comparison of Mid-Infrared and Near-Infrared
Spectroscopy
........................ 309
8.1.1.2
Applications of Near-Infrared Spectroscopy
... 310
8.1.2
Far-Infrared Spectroscopy
................ 312
8.2
Infrared Laser Spectroscopy
.............. 313
8.3
Raman Spectroscopy
................... 315
8.3.1
Physical Foundations
................... 315
8.3.2
Instrument Design
..................... 322
8.3.2.1
Conventional Grating Spectrometer
......... 322
8.3.2.2
FT-Raman Spectrometer
................. 324
8.3.3
Applications
......................... 325
8.3.3.1
Assignment of Vibrational Bands
.......... 325
8.3.3.2
Aqueous Samples
..................... 325
8.3.3.3
Quantitative Analysis
................... 326
8.3.3.4
Investigation of Solids
.................. 326
References
.......................... 327
9
Reference Spectra and Expert Systems
..... 329
9.1
Spectral Collections
.................... 329
9.1.1
Reference Collections
.................. 329
9.1.2
Digital Spectral Libraries
................ 331
9.2
Computer-Supported Research
............ 332
9.2.1
Library Search
....................... 332
9.2.2
Incorporation of Various Types
of Spectroscopy
...................... 336
9.3
Interpretative Systems
.................. 336
9.3.1
Computer-Interpretation According to Empirical
Rules
.............................. 337
9.3.2
Multivariate
Methods
for Spectral Interpretation
................ 338
9.3.3
Pattern Recognition Methods
............. 339
9.4
Qualitative Mixture Analysis
............. 340
References
.......................... 342
10
Appendix
.......................... 347
10.1
Positions of the Most Frequent Disturbing Bands
in the
IR
Spectrum
.................... 347
10.2
Spectra of Frequently Used Solvents
........ 347
Index
................................. 355
|
| any_adam_object | 1 |
| author | Günzler, Helmut Gremlich, Hans-Ulrich |
| author_facet | Günzler, Helmut Gremlich, Hans-Ulrich |
| author_role | aut aut |
| author_sort | Günzler, Helmut |
| author_variant | h g hg h u g hug |
| building | Verbundindex |
| bvnumber | BV014221569 |
| callnumber-first | Q - Science |
| callnumber-label | QD96 |
| callnumber-raw | QD96.I5 |
| callnumber-search | QD96.I5 |
| callnumber-sort | QD 296 I5 |
| callnumber-subject | QD - Chemistry |
| classification_rvk | VG 9201 VG 9200 |
| classification_tum | CHE 239f PHY 120f |
| ctrlnum | (OCoLC)57047660 (DE-599)BVBBV014221569 |
| dewey-full | 543/.08583 |
| dewey-hundreds | 500 - Natural sciences and mathematics |
| dewey-ones | 543 - Analytical chemistry |
| dewey-raw | 543/.08583 |
| dewey-search | 543/.08583 |
| dewey-sort | 3543 48583 |
| dewey-tens | 540 - Chemistry and allied sciences |
| discipline | Chemie / Pharmazie Physik Chemie |
| format | Book |
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| genre | 1\p (DE-588)4151278-9 Einführung gnd-content 2\p (DE-588)4123623-3 Lehrbuch gnd-content |
| genre_facet | Einführung Lehrbuch |
| id | DE-604.BV014221569 |
| illustrated | Illustrated |
| indexdate | 2024-08-01T16:20:22Z |
| institution | BVB |
| isbn | 3527288961 9783527288960 |
| language | English German |
| oai_aleph_id | oai:aleph.bib-bvb.de:BVB01-009751413 |
| oclc_num | 57047660 |
| open_access_boolean | |
| owner | DE-91G DE-BY-TUM DE-M49 DE-BY-TUM DE-19 DE-BY-UBM DE-863 DE-BY-FWS DE-1043 DE-29T DE-1051 DE-703 DE-384 DE-Er8 DE-526 DE-634 DE-83 |
| owner_facet | DE-91G DE-BY-TUM DE-M49 DE-BY-TUM DE-19 DE-BY-UBM DE-863 DE-BY-FWS DE-1043 DE-29T DE-1051 DE-703 DE-384 DE-Er8 DE-526 DE-634 DE-83 |
| physical | XIII, 361 S. Ill., graph. Darst. |
| publishDate | 2002 |
| publishDateSearch | 2002 |
| publishDateSort | 2002 |
| publisher | WILEY-VCH |
| record_format | marc |
| spellingShingle | Günzler, Helmut Gremlich, Hans-Ulrich IR spectroscopy an introduction Spectroscopie infrarouge Spectroscopie infrarouge ram Infrared spectroscopy Taschenbuch (DE-588)4128856-7 gnd Analytische Chemie (DE-588)4129906-1 gnd Infrarotspektroskopie (DE-588)4135411-4 gnd |
| subject_GND | (DE-588)4128856-7 (DE-588)4129906-1 (DE-588)4135411-4 (DE-588)4151278-9 (DE-588)4123623-3 |
| title | IR spectroscopy an introduction |
| title_alt | IR-Spektroskopie |
| title_auth | IR spectroscopy an introduction |
| title_exact_search | IR spectroscopy an introduction |
| title_full | IR spectroscopy an introduction Helmut Günzler ; Hans-Ulrich Gremlich. Transl.: Mary-Joan Blümich |
| title_fullStr | IR spectroscopy an introduction Helmut Günzler ; Hans-Ulrich Gremlich. Transl.: Mary-Joan Blümich |
| title_full_unstemmed | IR spectroscopy an introduction Helmut Günzler ; Hans-Ulrich Gremlich. Transl.: Mary-Joan Blümich |
| title_short | IR spectroscopy |
| title_sort | ir spectroscopy an introduction |
| title_sub | an introduction |
| topic | Spectroscopie infrarouge Spectroscopie infrarouge ram Infrared spectroscopy Taschenbuch (DE-588)4128856-7 gnd Analytische Chemie (DE-588)4129906-1 gnd Infrarotspektroskopie (DE-588)4135411-4 gnd |
| topic_facet | Spectroscopie infrarouge Infrared spectroscopy Taschenbuch Analytische Chemie Infrarotspektroskopie Einführung Lehrbuch |
| url | http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=009751413&sequence=000002&line_number=0001&func_code=DB_RECORDS&service_type=MEDIA |
| work_keys_str_mv | AT gunzlerhelmut irspektroskopie AT gremlichhansulrich irspektroskopie AT gunzlerhelmut irspectroscopyanintroduction AT gremlichhansulrich irspectroscopyanintroduction |
Inhaltsverzeichnis
Würzburg Zentralbibliothek Lesesaal
| Signatur: |
1000 VG 9201 G927 I6 |
|---|---|
| Exemplar 1 | ausleihbar Verfügbar Bestellen |