Vibrational intensities in infrared and Raman spectroscopy:
Saved in:
| Format: | Book |
|---|---|
| Language: | English |
| Published: |
Amsterdam (u.a.)
Elsevier
1982
|
| Series: | Studies in physical and theoretical chemistry.
20. |
| Subjects: | |
| Online Access: | Inhaltsverzeichnis |
| Item Description: | Literaturangaben |
| Physical Description: | XV, 466 S. graph. Darst. |
| ISBN: | 0444421157 |
Staff View
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| adam_text | studies in physical and theoretical chemistry 20
VIBRATIONAL INTENSITIES
IN INFRARED AND
RAMAN SPECTROSCOPY
Edited by
Willis B Person
Department of Chemistry,
University of Florida,
Gainesville, FL, U S A
G Zerbi
Department of Industrial Chemistry,
Polytechnic of Milano, Milano, Italy
ELSEVIER SCIENTIFIC PUBLISHING COMPANY
Amsterdam — Oxford — New York 1982
XI
TABLE OF CONTENTS
List of Contributors vii
Preface ix
SECTION A INTRODUCTION
Chapter 1 The Renaissance of Vibrational Intensities
BRYCE CRAWFORD, JR
1 1 The Band Intensity as a Spectroscopic
Observable 3
1 2 The Enthusiasm of the 1950 s: The Molecular
Interpretation of Intensities 4
1 3 The Dark Period of the 1960 s: Ambiguous
Signs and Uncertain Normal Coordinates! 7
1 4 Dawn in the 1970 s: The Tools for Assured
Transformations 8
1 5 Renaissance Entering the 1980 s: Confident
and Rewarding Interpretations 10
1 6 Refer enc e s 11
Chapter 2 The Experimental Determination of Gas-Phase
Infrared Intensities
JOHN OVEREND
2 1 Introduction 14
2 2 Experimental Details 15
2 3 Discussion 20
2 4 Ref er enc e s 21
Chapter 3 Introduction to the Theory of Vibrational
Frequencies and Vibrational Intensities
GZE RBI
3 1 Introduction 23
3 2 Theory of Vibrational Frequencies 23
3 3 Theory of Vibrational Intensities 45
3 4 Ref er enc es 6 1
SECTION B THEORY OF INFRARED INTENSITIES
Chapter 4 Infrared Intensities and Atomic Polar Tensors
WILLIS B PERSON
4 1 Introduction 67
4 2 Characteristics of Atomic Polar 75
Tensor s
4 3 Interpretation of APTs 81
4 4 Transferability of APTs 90
4 5 Summar y 91
4 6 References 93
XII
Chapter 5 Infrared Intensities by Parametric Methods;
A Gu id ed Tour
M GUSSONI
5,1 Intr oduc t ion 96
5 2 Choice of Experimental Data 96
5 3 Determination of the Sign of 3M/9Q^ 1 0 1
5 4 Use of Electrooptical Parameters 106
5,5 Use of Other Parameters 1 15
5 ,6 Conclusions 1 20
5,7 Re fer enc es1 20
Chapter 6 Effective Atomic Charge
W T KING
6 1 Introduction 122
6 2 Atomic Polar Tensors 124
6 3 Effective Atomic Charges 131
6 4 References 141
Cha p t er 7
of Infrared
ROY E BRUNS
Approximate Quantum Mechanical Calculations
and Raman Vibrational Intensities
Introduc t ion
Approximate Molecular Orbital Method
Coordinate Systems
Approximate Quantum Mechanical
Dipole Moment Derivatives
Result s for
Molecular Orbital Interpretation of Dipole
Moment Derivatives 149
Approximate Quantum Mechanical Calculations
of Vibrational Raman Intensities 152
References 15 5
Cha p t er 8
Intensit ies
G RILEY, S
Dipole Moment Parameters and Infrared Band
, SUZUKI AND W J 0RVILLE-THOMAS
Introduction 159
Band Intensities 159
Use of Experimental Band Intensities to
Study the Polar Nature of Chemical
Bond s 16 1
Bond Moment Theory 165
Use of Quantum Mechanics in Bond Moment
Theor y 17 1
Determination of the CH Bond Moment in
of the Methane
Ethylene
7 The CH Bond Moment
Mo 1 ecu 1e
8 Calculation of Bond Moments
Localization Methods
9 The Bond Moments of the
Molecule
10 Refer enc e s
by
F2CO
XIII
Chapter 9 DLpole Strengths of Multiquantum Transitions
I Basic Theory and Application to the Intensities of
Binary Transitions in the Absence of Vibrational Degen
eracy
JOHN OVEREND
Introduct ion
Ba s ic Theory
Ba nd Intensities
Transit ions
Sulfur Dioxide:
Ref er enc e s
o f
An
B ina r y
Ex amp1e
Chapter 10 Dipole Strengths of Multiquantum
Transitions II Intensities of Binary Transitions
in the Case of Degenerate Vibrations and Extension of
Theory to Tertiary Transitions
OVEREND
10 1 Introduction 203
10 2 Linear Molecules 203
10 3 C3v Molecules 207
10 4 Spherical Tops 2 1 2
10 5 Extension to Three-Quantum Transi 2 15
tions
10 6 Ref er enc es 2 16
SECTION C RAMAN INTENSITIES
Chapter 1 L Raman
A Guided Tour
M GUSSONI
1 L 1
1 L 2
1 L 4
Intensities by Parametric Methods
Introduction 221
Observables and Parameters 221
Overlay Calculations of EOP S 235
Ref er enc es 2 38
Chapter 12
copy
W KIEFER
Experimental Techniques in Raman Spectros-
1 Introduction 239
2 Recent Techniques for Intensity Measure
ments in Linear Raman Spectroscopy 239
12 3 Raman Intensity by CARS-Spectroscopy
12 4 Ref er enc es 256
Chapter 13 Raman Intensities of Gases
H J BERNSTEIN
13 1 Introduction
13 2 Results and Discussion
13 3 Refer enc e s
XIV
SECTION D PREDICTIONS OF VIBRATIONAL INTENSITIES
Chapter 14 Prediction of Infrared Intensities by
Transfer of Atomic Polar Tensors
WILLIS B PERSON
14 1 Introduction 269
14 2 Transfer of APTs in the Fluoromethane
Series CHxF4_x 271
14 3 Transfer of F Atom APTs to Prediction of
Intensities of XFg Molecules 281
14 4 Transfer of F Atom APTs to Predict Inten
sities of XF^ Molecules 285
14 5 Use of Transferred F-Atom APTs to Predict
the Intensities of Fundamental Modes of
Free Radicals 288
14 6 Non-transferability of F-Atom APTs 292
14 7 Conclusions 298
14 8 References 299
Chapter 15 Prediction of Infrared and Raman Intensi
ties by Electrooptical Parameters
GIUSEPPI ZERBI, MARIANGELA GUSSONI, SERGIO ABBATE AND
PATRIZIA JONI
15 1 Introduction 301
15 2 Infrared Spectra 304
15 3 Raman Spectra 326
15 4 References 331
SECTION E APPLICATIONS OF VIBRATIONAL INTENSITIES
Chapter 16 Some Applications of Infrared Intensities
to the Study of Intramolecular Interactions in Organic
Chemistry
A R KATRITZKY and R D T0PS0M
16 1 The Intensity of VG=C ^
16 2 Intensity of = c - •n Acetylenes 343
16 3 The Intensities of C-C Vibrations in
Benzene Derivatives 344
16 4 Additional Applications 351
16 5 Conclusions Regarding Applications of
IR Intensities 354
16 6 References 354
Chapter 17 High Resolution Infrared Spectroscopy:
Some New Approaches and Applications to Planetary
Atmospheres
MICHAEL J MUMMA
17 1 Introduction 356
17 2 Line Formation in Planetary
Atmospheres 360
XV
17 3 Applications to Planetary Atmospheres
17 4 Principles of Heterodyne Spectroscopy
17 5 Laboratory Absorption Spectroscopy with
TunableSemi-Conductor Lasers 375
17 6 Further Applications to Planetary
Spectroscopy 377
17 7 Summar y 38 1
17 8 Ref er enc es 382
Cha p t er 18 High Intensity Spectroscopy and Laser
Chemistry
DAVID A DOWS
18 1 Introduction 386
18 2 Rate Law Treatment of the Dynamics o f
Photon Absorption 386
18 3 Effects of Coherence 39 1
18 4 Laser-Induced Chemistry 395
18 5 Ref er enc es 397
Cha p t er 19 Band Contours of Infrared and Raman Band s
on L iqu id s
D STEELE
19 1 Infrared Absorption 399
19 2 The Interpretation of the Fourier
Transform of a Vibrational Absorption Band
Taken about the Band Origin 402
Raman Band
Rotat ional
Contour s
Autocorrelation
Some Practical
of Correlation
Summar y
Ref er enc es
Func t ion s
Problems in the Evaluation
Functions and Moments
Chapter 20 The Intensity of Infrared and Raman Bands
in Molecular Crystals
S CALIFANO and V SCHETTINO
20 1 Introduction
20 2 The Intensity
Lattice Mod es
20 3 The Intensity
204 Ref er enc es
of Infrared and Raman
of Multiphonon Bands
COMPOUND INDEX
SUBJECT INDEX
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| indexdate | 2024-07-09T15:41:13Z |
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| series2 | Studies in physical and theoretical chemistry. |
| spelling | Vibrational intensities in infrared and Raman spectroscopy Hrsg. von Willis B. Person* Amsterdam (u.a.) Elsevier 1982 XV, 466 S. graph. Darst. txt rdacontent n rdamedia nc rdacarrier Studies in physical and theoretical chemistry. 20. Literaturangaben Spectres de vibration ram Spectroscopie Raman ram Spectroscopie infrarouge ram Infrared spectroscopy Raman spectroscopy Vibrational spectra Schwingung (DE-588)4053999-4 gnd rswk-swf Raman-Spektroskopie (DE-588)4176916-8 gnd rswk-swf Intensität (DE-588)4114033-3 gnd rswk-swf Theorie (DE-588)4059787-8 gnd rswk-swf Schwingungsspektroskopie (DE-588)4128960-2 gnd rswk-swf Infrarotspektroskopie (DE-588)4135411-4 gnd rswk-swf Raman-Spektroskopie (DE-588)4176916-8 s DE-604 Infrarotspektroskopie (DE-588)4135411-4 s Schwingungsspektroskopie (DE-588)4128960-2 s Schwingung (DE-588)4053999-4 s Intensität (DE-588)4114033-3 s Theorie (DE-588)4059787-8 s Person, Willis B. Sonstige oth Studies in physical and theoretical chemistry. 20. (DE-604)BV000004482 20. HEBIS Datenaustausch application/pdf http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=001412875&sequence=000002&line_number=0001&func_code=DB_RECORDS&service_type=MEDIA Inhaltsverzeichnis |
| spellingShingle | Vibrational intensities in infrared and Raman spectroscopy Studies in physical and theoretical chemistry. Spectres de vibration ram Spectroscopie Raman ram Spectroscopie infrarouge ram Infrared spectroscopy Raman spectroscopy Vibrational spectra Schwingung (DE-588)4053999-4 gnd Raman-Spektroskopie (DE-588)4176916-8 gnd Intensität (DE-588)4114033-3 gnd Theorie (DE-588)4059787-8 gnd Schwingungsspektroskopie (DE-588)4128960-2 gnd Infrarotspektroskopie (DE-588)4135411-4 gnd |
| subject_GND | (DE-588)4053999-4 (DE-588)4176916-8 (DE-588)4114033-3 (DE-588)4059787-8 (DE-588)4128960-2 (DE-588)4135411-4 |
| title | Vibrational intensities in infrared and Raman spectroscopy |
| title_auth | Vibrational intensities in infrared and Raman spectroscopy |
| title_exact_search | Vibrational intensities in infrared and Raman spectroscopy |
| title_full | Vibrational intensities in infrared and Raman spectroscopy Hrsg. von Willis B. Person* |
| title_fullStr | Vibrational intensities in infrared and Raman spectroscopy Hrsg. von Willis B. Person* |
| title_full_unstemmed | Vibrational intensities in infrared and Raman spectroscopy Hrsg. von Willis B. Person* |
| title_short | Vibrational intensities in infrared and Raman spectroscopy |
| title_sort | vibrational intensities in infrared and raman spectroscopy |
| topic | Spectres de vibration ram Spectroscopie Raman ram Spectroscopie infrarouge ram Infrared spectroscopy Raman spectroscopy Vibrational spectra Schwingung (DE-588)4053999-4 gnd Raman-Spektroskopie (DE-588)4176916-8 gnd Intensität (DE-588)4114033-3 gnd Theorie (DE-588)4059787-8 gnd Schwingungsspektroskopie (DE-588)4128960-2 gnd Infrarotspektroskopie (DE-588)4135411-4 gnd |
| topic_facet | Spectres de vibration Spectroscopie Raman Spectroscopie infrarouge Infrared spectroscopy Raman spectroscopy Vibrational spectra Schwingung Raman-Spektroskopie Intensität Theorie Schwingungsspektroskopie Infrarotspektroskopie |
| url | http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=001412875&sequence=000002&line_number=0001&func_code=DB_RECORDS&service_type=MEDIA |
| volume_link | (DE-604)BV000004482 |
| work_keys_str_mv | AT personwillisb vibrationalintensitiesininfraredandramanspectroscopy |