Symmetry through the eyes of a chemist:
Saved in:
| Main Authors: | , |
|---|---|
| Format: | Book |
| Language: | English |
| Published: |
Dordrecht [u.a.]
Springer
2010
|
| Edition: | 3. ed., 1 softcover print. |
| Subjects: | |
| Online Access: | Inhaltsverzeichnis |
| Physical Description: | XII, 520 S. zahlr. Ill. und graph. Darst. |
| ISBN: | 9789048136896 9781402056277 9781402056284 |
Staff View
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Record in the Search Index
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|---|---|
| adam_text | Contents
1
Introduction
........................................ 1
References
.......................................... 20
2
Simple and Combined Symmetries
.................... 25
2.1.
Bilateral Symmetry
............................. 25
2.2.
Rotational Symmetry
............................ 33
2.3.
Combined Symmetries
........................... 37
2.3.1.
A Rotation Axis with Intersecting Symmetry
Planes
.................................. 37
2.3.2.
Snowflakes
............................. 39
2.4.
Inversion
...................................... 53
2.5.
Singular Point and Translational Symmetry
......... 55
2.6.
Polarity
....................................... 57
2.7.
Chirality
....................................... 60
2.7.1.
Asymmetry and Dissymmetry
............. 66
2.7.2.
Vital Importance
........................ 69
2.7.3.
La coupe
du roi.........................
74
2.8.
Polyhedra
...................................... 76
References
.......................................... 91
3
Molecular Shape and Geometry
....................... 97
3.1.
Isomers
....................................... 98
3.2.
Rotational Isomerism
............................100
3.3.
Symmetry Notations
.............................104
3.4.
Establishing the Point Group
......................105
3.5.
Examples
......................................107
3.6.
Consequences of Substitution
.....................115
3.7.
Polyhedral Molecular Geometries
.................119
IX
x
Contents
3.7.1.
Boron Hydride Cages
....................123
3.7.2.
Polycyclic Hydrocarbons
.................125
3.7.3.
Structures with Central Atom
..............133
3.7.4.
Regularities in Nonbonded Distances
.......136
3.7.5.
The VSEPR Model
......................139
3.7.6.
Consequences of Intramolecular Motion
.....152
References
..........................................161
4
Helpful Mathematical Tools
..........................169
4.1.
Groups
........................................169
4.2.
Matrices
.......................................176
4.3.
Representation of Groups
........................183
4.4.
The Character of a Representation
.................189
4.5.
Character Tables and Properties of Irreducible
Representations
................................ 191
4.6.
Antisymmetry
..................................197
4.7.
Shortcut to Determine a Representation
.............204
4.8.
Reducing a Representation
.......................206
4.9.
Auxiliaries
.....................................208
4.9.1.
Direct Product
..........................209
4.9.2.
Integrals of Product Functions
.............209
4.9.3.
Projection Operator
......................211
4.10.
Dynamic Properties
.............................212
4.11.
Where Is Group Theory Applied?
..................213
References
..........................................214
5
Molecular Vibrations
................................217
5.1.
Normal Modes
.................................217
5.1.1.
Their Number
...........................218
5.1.2.
Their Symmetry
.........................220
5.1.3.
Their Types
.............................224
5.2.
Symmetry Coordinates
...........................225
5.3.
Selection Rules
.................................227
5.4.
Examples
......................................229
References
..........................................237
6
Electronic Structure of Atoms and Molecules
...........239
6.1.
One-Electron Wave Function
.....................241
6.2.
Many-Electron Atoms
...........................249
Contents xi
6.3.
Molecules
..................................... 252
6.3.1.
Constructing Molecular
Orbitals........... 252
6.3.2.
Electronic States
........................ 261
6.3.3.
Examples of MO Construction
............. 263
6.4.
Quantum Chemical Calculations
.................. 287
6.5.
Influence of Environmental Symmetry
............. 290
6.6.
Jahn-Teller Effect
............................... 294
References
.......................................... 308
7
Chemical Reactions
..................................313
7.1.
Potential Energy Surface
.........................315
7.1.1.
Transition State, Transition Structure
.......316
7.1.2.
Reaction Coordinate
.....................319
7.1.3.
Symmetry Rules for the Reaction Coordinate
320
7.2.
Electronic Structure
.............................324
7.2.1.
Changes During a Chemical Reaction
.......324
7.2.2.
Frontier
Orbitals:
HOMO and LUMO
.......325
7.2.3.
Conservation of Orbital Symmetry
.........326
7.2.4.
Analysis in Maximum Symmetry
..........327
7.3.
Examples
......................................328
7.3.1.
Cycloaddition
...........................328
7.3.2.
Intramolecular Cyclization
................343
7.3.3.
Generalized Woodward—Hoffmann Rules
.... 350
7.4. Hückel-Möbius
Concept
.........................350
7.5.
Isolobal Analogy
...............................356
References
..........................................364
8
Space-Group Symmetries
............................371
8.1.
Expanding to Infinity
............................371
8.2.
One-Sided Bands
...............................375
8.3.
Two-Sided Bands
...............................378
8.4.
Rods, Spirals, and Similarity Symmetry
............381
8.5.
Two-Dimensional Space Groups
...................395
8.5.1.
Simple Networks
........................401
8.5.2.
Side-Effects of Decorations
.............., 406
8.5.3.
Moires
.................................408
References
..........................................410
xii Contents
9
Crystals
............................................413
9.1. Basic
Laws
....................................417
9.2.
The
32
Crystal Groups
...........................423
9.3.
Restrictions
....................................424
9.4.
The
230
Space Groups
...........................432
9.4.1.
Rock Salt and Diamond
..................438
9.5.
Dense Packing
..................................440
9.5.1.
Sphere Packing
..........................442
9.5.2.
Icosahedral Packing
......................446
9.5.3.
Connected Polyhedra
.....................449
9.5.4.
Atomic Sizes
...........................453
9.6.
Molecular Crystals
..............................456
9.6.1.
Geometrical Model
......................457
9.6.2.
Densest Molecular Packing
...............466
9.6.3.
Energy Calculations and Structure Predictions
470
9.6.4.
Hypersymmetry
.........................474
9.6.5.
Crystal Field Effects
.....................476
9.7.
Beyond the Perfect System
.......................483
9.8.
Quasicrystals
...................................489
9.9.
Returning to Shapes
.............................494
References
..........................................496
Epilogue
...............................................505
Other Titles by the Authors
..............................507
Index
..................................................509
|
| any_adam_object | 1 |
| author | Hargittai, Magdolna Hargittai, István 1941- |
| author_GND | (DE-588)124457207 |
| author_facet | Hargittai, Magdolna Hargittai, István 1941- |
| author_role | aut aut |
| author_sort | Hargittai, Magdolna |
| author_variant | m h mh i h ih |
| building | Verbundindex |
| bvnumber | BV025600661 |
| classification_rvk | VE 5700 |
| ctrlnum | (OCoLC)700457838 (DE-599)BVBBV025600661 |
| discipline | Chemie / Pharmazie |
| edition | 3. ed., 1 softcover print. |
| format | Book |
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| id | DE-604.BV025600661 |
| illustrated | Illustrated |
| indexdate | 2024-07-09T22:37:16Z |
| institution | BVB |
| isbn | 9789048136896 9781402056277 9781402056284 |
| language | English |
| oai_aleph_id | oai:aleph.bib-bvb.de:BVB01-020196143 |
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| owner_facet | DE-11 DE-20 DE-355 DE-BY-UBR |
| physical | XII, 520 S. zahlr. Ill. und graph. Darst. |
| publishDate | 2010 |
| publishDateSearch | 2010 |
| publishDateSort | 2010 |
| publisher | Springer |
| record_format | marc |
| spelling | Hargittai, Magdolna Verfasser aut Symmetry through the eyes of a chemist István Hargittai ; Magdolna Hargittai 3. ed., 1 softcover print. Dordrecht [u.a.] Springer 2010 XII, 520 S. zahlr. Ill. und graph. Darst. txt rdacontent n rdamedia nc rdacarrier Chemie (DE-588)4009816-3 gnd rswk-swf Molekülsymmetrie (DE-588)4170385-6 gnd rswk-swf Symmetrie (DE-588)4058724-1 gnd rswk-swf Physik (DE-588)4045956-1 gnd rswk-swf Molekülstruktur (DE-588)4170383-2 gnd rswk-swf Gruppentheorie (DE-588)4072157-7 gnd rswk-swf Theoretische Chemie (DE-588)4185098-1 gnd rswk-swf Chemie (DE-588)4009816-3 s Symmetrie (DE-588)4058724-1 s DE-604 Molekülsymmetrie (DE-588)4170385-6 s Gruppentheorie (DE-588)4072157-7 s Molekülstruktur (DE-588)4170383-2 s Theoretische Chemie (DE-588)4185098-1 s Physik (DE-588)4045956-1 s Hargittai, István 1941- Verfasser (DE-588)124457207 aut Digitalisierung UB Regensburg - ADAM Catalogue Enrichment application/pdf http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=020196143&sequence=000002&line_number=0001&func_code=DB_RECORDS&service_type=MEDIA Inhaltsverzeichnis |
| spellingShingle | Hargittai, Magdolna Hargittai, István 1941- Symmetry through the eyes of a chemist Chemie (DE-588)4009816-3 gnd Molekülsymmetrie (DE-588)4170385-6 gnd Symmetrie (DE-588)4058724-1 gnd Physik (DE-588)4045956-1 gnd Molekülstruktur (DE-588)4170383-2 gnd Gruppentheorie (DE-588)4072157-7 gnd Theoretische Chemie (DE-588)4185098-1 gnd |
| subject_GND | (DE-588)4009816-3 (DE-588)4170385-6 (DE-588)4058724-1 (DE-588)4045956-1 (DE-588)4170383-2 (DE-588)4072157-7 (DE-588)4185098-1 |
| title | Symmetry through the eyes of a chemist |
| title_auth | Symmetry through the eyes of a chemist |
| title_exact_search | Symmetry through the eyes of a chemist |
| title_full | Symmetry through the eyes of a chemist István Hargittai ; Magdolna Hargittai |
| title_fullStr | Symmetry through the eyes of a chemist István Hargittai ; Magdolna Hargittai |
| title_full_unstemmed | Symmetry through the eyes of a chemist István Hargittai ; Magdolna Hargittai |
| title_short | Symmetry through the eyes of a chemist |
| title_sort | symmetry through the eyes of a chemist |
| topic | Chemie (DE-588)4009816-3 gnd Molekülsymmetrie (DE-588)4170385-6 gnd Symmetrie (DE-588)4058724-1 gnd Physik (DE-588)4045956-1 gnd Molekülstruktur (DE-588)4170383-2 gnd Gruppentheorie (DE-588)4072157-7 gnd Theoretische Chemie (DE-588)4185098-1 gnd |
| topic_facet | Chemie Molekülsymmetrie Symmetrie Physik Molekülstruktur Gruppentheorie Theoretische Chemie |
| url | http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=020196143&sequence=000002&line_number=0001&func_code=DB_RECORDS&service_type=MEDIA |
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