Orbital interactions in chemistry:
Gespeichert in:
| Hauptverfasser: | , , |
|---|---|
| Format: | Buch |
| Sprache: | English |
| Veröffentlicht: |
New York u.a.
Wiley
1985
|
| Schlagworte: | |
| Online-Zugang: | Inhaltsverzeichnis |
| Beschreibung: | XV, 447 S. Ill., graph. Darst. |
| ISBN: | 0471873934 |
Internformat
MARC
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Datensatz im Suchindex
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| adam_text | ORBITAL INTERACTIONS IN CHEMISTRY THOMAS A. ALBRIGHT DEPARTMENT OF
CHEMISTRY UNIVERSITY OF HOUSTON JEREMY K. BURDETT DEPARTMENT OF
CHEMISTRY THE UNIVERSITY OF CHICAGO MYUNG-HWAN WHANGBO DEPARTMENT OF
CHEMISTRY NORTH CAROLINA STATE UNIVERSITY A WILEY-INTERSCIENCE
PUBLICATION JOHN WILEY & SONS NEW YORK * CHICHESTER * BRISBANE * TORONTO
* SINGAPORE CONTENTS 1. ATOMIC AND MOLECULAR ORBITALS 1.1. INTRODUCTION,
1 1.2. ATOMIC ORBITALS, 1 1.3. MOLECULAR ORBITALS, 5 2. CONCEPTS OF
BONDING AND ORBITAL INTERACTION 2.1. ORBITAL INTERACTION ENERGY, 12 A.
DEGENERATE INTERACTION, 13 B. NONDEGENERATE INTERACTION, 15 2.2.
MOLECULAR ORBITAL COEFFICIENTS, 18 A. DEGENERATE INTERACTION, 18 B.
NONDEGENERATE INTERACTION, 20 2.3. ELECTRON DENSITY DISTRIBUTION, 21 3.
PERTURBATIONAL MOLECULAR ORBITAL THEORY 3.1. INTRODUCTION, 26 3.2.
NONDEGENERATE PERTURBATION, 28 A. INTRAMOLECULAR PERTURBATION, 29 B.
INTERMOLECULAR PERTURBATION, 30 3.3. DEGENERATE PERTURBATION, 34 A.
INTRAMOLECULAR PERTURBATION, 34 B. INTERMOLECULAR PERTURBATION, 34 3.4.
THE LINEAR H 3 MOLECULE, 36 4. SYMMETRY CONSIDERATIONS 4.1.
INTRODUCTION, 39 4.2. GROUPS, 39 4.3. SYMMETRY-ADAPTED WAVEFUNCTIONS, 42
4.4. DEGENERACIES,45 4.5. DIRECT PRODUCTS, 48 CONTENTS 4.6. SYMMETRY
PROPERTIES AND INTEGRALS, 51 4.7. THE NONCROSSING RULE, 52 4.8.
PRINCIPLES OF ORBITAL CONSTRUCTION USING SYMMETRY PRINCIPLES, 53
MOLECULAR ORBITAL CONSTRUCTION FROM FRAGMENT ORBITALS 59 5.1.
INTRODUCTION, 59 5.2. TRIANGULAER H 3 , 59 5.3. LINEAR H 4 , 62 5.4.
RECTANGULAR AND SQUARE PLANAR H 4 , 64 5.5. TETRAHEDRAL H 4 , 66 5.6.
PENTAGONAL H 5 AND HEXAGONAL H 6 ,68 5.7. ORBITALS OF 7R SYSTEMS, 71
MOLECULAR ORBITALS OF DIATOMIC MOLECULES AND ELECTRONEGATIVITY
PERTURBATION 76 6.1. INTRODUCTION, 76 6.2. ORBITAL HYBRIDIZATION, 77
6.3. MOLECULAR ORBITALS OF DIATOMIC MOLECULES, 78 6.4. ELECTRONEGATIVITY
PERTURBATION, 82 MOLECULAR ORBITALS AND GEOMETRICAL PERTURBATIONS 87
7.1. MOLECULAR ORBITALS OFAH 2 , 87 7.2. GEOMETRICAL PERTURBATION, 91
7.3. WALSH DIAGRAMS, 93 7.4. JAHN-TELLER DISTORTIONS, 95 A. SECOND-ORDER
JAHN-TELLER DISTORTION, 95 B. FIRST-ORDER JAHN-TELLER DISTORTION, 97 C.
THREE-CENTER BONDING, 98 7.5. BOND ORBITALS, 100 7.6. THROUGH-BOND
INTERACTIONS, 107 STATE WAVEFUNCTIONS AND STATE ENERGIES 110 8.1.
INTRODUCTION, 110 8.2. THE MOLECULAR HAMILTONIAN AND STATE
WAVEFUNCTIONS, 111 8.3. THE FOCK OPERATOR, 113 8.4. STATE ENERGY, 115
8.5. EXCITATION ENERGY, 116 8.6. IONIZAT ION POTENTIAL AND ELECTRON
AFFLNITY, 119 8.7. ELECTRON DENSITY DISTRIBUTION AND THE MAGNITUDES OF
COULOMB AND EXCHANGE REPULSIONS, 120 8.8. LOW VS. HIGH SPIN STATES, 122
8.9. ELECTRON-ELECTRON REPULSION AND CHARGED SPECIES, 123 8.10.
CONFIGURATIONAL INTERACTION, 125 CONTENTS XIII 9. MOLECULAR ORBITALS OF
SMALL BUILDING BLOCKS 131 9.1. MOSFROM BOND ORBITALS, 131 A. AH, 131 B.
PYRAMIDAL AH 3 , 133 C. TETRAHEDRAL AH 4 ,137 9.2. SHAPESOF AH 3
SYSTEMS, 140 A. SIX-ELECTRON SYSTEMS, 141 B. EIGHT-ELECTRON SYSTEMS, 143
9.3. 7R-BONDING EFFECTS OF LIGANDS, 145 9.4. SHAPES OF AH 4 SYSTEMS, 148
10. MOLECULES WITH TWO HEAVY ATOMS 152 10.1. INTRODUCTION, 152 10.2. A 2
H 6 SYSTEMS, 152 A. ETHANE, 153 B. DIBORANE, 155 C. DIMERIZATION OF AH 3
,157 10.3. TWELVE-ELECTRON A 2 H 4 SYSTEMS, 158 A. SUDDEN POLARIZATION,
159 B. SUBSTITUENT EFFECTS, 163 C. DIMERIZATION OF AH 2 ,165 D.
PYRAMIDALIZATION OF A 2 H 4 ,166 10.4. FOURTEEN-ELECTRON AH 2 BH 2
SYSTEMS, 168 10.5. AH 3 BH 2 SYSTEMS, 171 10.6. AH 3 BH SYSTEMS, 179 11.
ORBITAL INTERACTIONS THROUGH SPACE AND THROUGH BONDS 184 11.1.
INTRODUCTION, 184 11.2. IN-PLANE A ORBITALS OF SMALL RINGS, 184 A.
CYCLOPROPANE, 184 B. CYCLOBUTANE, 189 11.3. THROUGH-BOND INTERACTIONS,
19 5 A. THE NATURE OF THROUGH-BOND COUPLING, 195 B. OTHER THROUGH-BOND
COUPLING UNITS, 198 11.4. BREAKING A C-C BOND, 200 12. POLYENES AND
CONJUGATED SYSTEMS 208 12.1. ACYLIC POLYENES, 208 12.2. HUECKELTHEORY,211
12.3. CYCLIC SYSTEMS, 213 12.4. PERTURBATIONS OF CYCLIC SYSTEMS, 219
12.5. CONJUGATION IN THREE DIMENSIONS, 226 13. SOLIDS 229 13.1. ENERGY
BANDS, 229 13.2. DISTORTIONS OF ONE-DIMENSIONAL SYSTEMS, 243 XIV
CONTENTS 13.3. OTHER ONE-DIMENSIONAL SYSTEMS, 247 13.4.
THREE-DIMENSIONAL SYSTEMS, 251 13.5. HIGH SPIN AND LOW SPIN
CONSIDERATIONS, 256 14. HYPERVALENT MOLECULES 258 14.1. ORBITALS OF
OCTAHEDRALLY BASED MOLECULES, 258 14.2. GEOMETFIES OF HYPERVALENT
MOLECULES, 269 15. TRANSITION METAL COMPLEXES-A STARTING POINT AT THE
OCTAHEDRON 277 15.1. INTRODUCTION, 277 15.2. OCTAHEDRAL ML 6 ,278 15.3.
7R-EFFECTS IN AN OCTAHEDRON, 282 15.4. DISTORTIONS FROM AN OCTAHEDRAL
GEOMETRY, 289 16. SQUARE PLANAR, TETRAHEDRAL ML 4 COMPLEXES AND ELECTRON
COUNTING 295 16.1. INTRODUCTION, 295 16.2. THE SQUARE PLANAR ML 4
MOLECULE, 295 16.3. ELECTRON COUNTING, 298 16.4. THE SQUARE
PLANAR-TETRAHEDRAL ML 4 INTERCONVERSION, 304 17. FIVE COORDINATION 310
17.1. INTRODUCTION, 310 17.2. THE C 4 * ML 5 FRAGMENT ,311 17.3. FIVE
COORDINATION, 313 17.4. MOLECULES BUILT UP FROM ML 5 FRAGMENTS, 326
17.5. PENTACOORDINATE NITROSYLS, 334 18. THE C 2V ML 3 FRAGMENT 339
18.1. INTRODUCTION, 339 18.2. THE ORBITALS OF A C 2 * ML 3 FRAGMENT, 339
18.3. ML 3 -CONTAINING METALLOCYCLES, 343 18.4. COMPARISON OF C 2V ML 3
AND C 4 * ML S FRAGMENTS, 352 19. THE ML 2 AND ML 4 FRAGMENTS 358 19.1.
DEVELOPMENT OF THE C 2L) ML 4 FRAGMENT ORBITALS, 358 19.2. 01EFIN-ML 4
COMPLEXES,361 19.3. THE C 2V ML 2 FRAGMENT, 364 19.4. POLYENE-ML 2
COMPLEXES, 366 19.5. REDUCTIVE ELIMINATION, 372 20. COMPLEXES OF ML 3 ,
MCP, AND CP 2 M 381 20.1. DERIVATION OF THE ORBITALS FOR A C 3V ML 3
FRAGMENT, 381 20.2. THE CPM FRAGMENT ORBITALS, 387 CONTENTS XV 20.3. CP
2 M AND METALLOCENES, 3 92 20.4. CP 2 ML* COMPLEXES, 394 21. THE
ISOLOBAL ANALOGY 402 21.1. INTRODUCTION, 402 21.2. GENERATION OF
ISOLOBAL FRAGMENTS, 403 21.3. ILLUSTRATIONS OF THE ISOLOBAL ANALOGY, 409
21.4. EXTENSIONS, 416 22. CLUSTER COMPOUNDS 422 22.1. TYPES OF CLUSTER
COMPOUNDS, 422 22.2. CLUSTER ORBITALS, 426 22.3. WADE S RULES, 432 INDEX
441
|
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| indexdate | 2024-07-09T15:15:54Z |
| institution | BVB |
| isbn | 0471873934 |
| language | English |
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| spelling | Albright, Thomas A. Verfasser aut Orbital interactions in chemistry Thomas A. Albright ; Jeremy K. Burdett ; Myung-Hwan Whangbo New York u.a. Wiley 1985 XV, 447 S. Ill., graph. Darst. txt rdacontent n rdamedia nc rdacarrier Chemische binding gtt Elektronenbanen gtt Orbitales Moléculaires ram Orbites moléculaires Molecular orbitals MO-Theorie (DE-588)4170580-4 gnd rswk-swf Orbital (DE-588)4127528-7 gnd rswk-swf Molekülorbital (DE-588)4127526-3 gnd rswk-swf Wechselwirkung (DE-588)4064937-4 gnd rswk-swf Chemie (DE-588)4009816-3 gnd rswk-swf Orbital (DE-588)4127528-7 s Wechselwirkung (DE-588)4064937-4 s Chemie (DE-588)4009816-3 s DE-604 MO-Theorie (DE-588)4170580-4 s Molekülorbital (DE-588)4127526-3 s Burdett, Jeremy K. Verfasser aut Whangbo, Myung-Hwan Verfasser aut GBV Datenaustausch application/pdf http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=000353586&sequence=000001&line_number=0001&func_code=DB_RECORDS&service_type=MEDIA Inhaltsverzeichnis |
| spellingShingle | Albright, Thomas A. Burdett, Jeremy K. Whangbo, Myung-Hwan Orbital interactions in chemistry Chemische binding gtt Elektronenbanen gtt Orbitales Moléculaires ram Orbites moléculaires Molecular orbitals MO-Theorie (DE-588)4170580-4 gnd Orbital (DE-588)4127528-7 gnd Molekülorbital (DE-588)4127526-3 gnd Wechselwirkung (DE-588)4064937-4 gnd Chemie (DE-588)4009816-3 gnd |
| subject_GND | (DE-588)4170580-4 (DE-588)4127528-7 (DE-588)4127526-3 (DE-588)4064937-4 (DE-588)4009816-3 |
| title | Orbital interactions in chemistry |
| title_auth | Orbital interactions in chemistry |
| title_exact_search | Orbital interactions in chemistry |
| title_full | Orbital interactions in chemistry Thomas A. Albright ; Jeremy K. Burdett ; Myung-Hwan Whangbo |
| title_fullStr | Orbital interactions in chemistry Thomas A. Albright ; Jeremy K. Burdett ; Myung-Hwan Whangbo |
| title_full_unstemmed | Orbital interactions in chemistry Thomas A. Albright ; Jeremy K. Burdett ; Myung-Hwan Whangbo |
| title_short | Orbital interactions in chemistry |
| title_sort | orbital interactions in chemistry |
| topic | Chemische binding gtt Elektronenbanen gtt Orbitales Moléculaires ram Orbites moléculaires Molecular orbitals MO-Theorie (DE-588)4170580-4 gnd Orbital (DE-588)4127528-7 gnd Molekülorbital (DE-588)4127526-3 gnd Wechselwirkung (DE-588)4064937-4 gnd Chemie (DE-588)4009816-3 gnd |
| topic_facet | Chemische binding Elektronenbanen Orbitales Moléculaires Orbites moléculaires Molecular orbitals MO-Theorie Orbital Molekülorbital Wechselwirkung Chemie |
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