Models for bonding in chemistry:
Saved in:
| Main Author: | |
|---|---|
| Format: | Book |
| Language: | English |
| Published: |
Chichester
Wiley
2010
|
| Edition: | 1. publ. |
| Subjects: | |
| Online Access: | Inhaltsverzeichnis |
| Item Description: | Includes bibliographical references and index |
| Physical Description: | XIII, 232 S. graph. Darst. |
| ISBN: | 9780470667026 |
Staff View
MARC
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| 245 | 1 | 0 | |a Models for bonding in chemistry |c Valerio Magnasco |
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| 300 | |a XIII, 232 S. |b graph. Darst. | ||
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Record in the Search Index
| _version_ | 1804143391430148096 |
|---|---|
| adam_text | IMAGE 1
CONTENTS
PREFACE XI
1 MATHEMATICAL FOUNDATIONS 1
1.1 MATRICES AND SYSTEMS OF LINEAR EQUATIONS 1
1.2 PROPERTIES OF EIGENVALUES AND EIGENVECTORS 6
1.3 VARIATIONAL APPROXIMATIONS 10
1.4 ATOMIC UNITS 15
1.5 THE ELECTRON DISTRIBUTION IN MOLECULES 17
1.6 EXCHANGE-OVERLAP DENSITIES AND THE CHEMICAL BOND 19
PART 1: SHORT-RANGE INTERACTIONS 27
2 THE CHEMICAL BOND 29
2.1 AN ELEMENTARY MOLECULAR ORBITAL MODEL 30
2.2 BOND ENERGIES AND PAULI REPULSIONS IN HOMONUCLEAR DIATOMICS 34
2.2.1 THE HYDROGEN MOLECULAR ION H2+ (N=L) 35 2.2.2 THE HYDROGEN
MOLECULE H2(N=2) 35
2.2.3 THE HELIUM MOLECULAR ION HE2+ (N=3) 35
2.2.4 THE HELIUM MOLECULE HE2 (N=4) 36
2.3 MULTIPLE BONDS 37
2.3.1 R27R2 DESCRIPTION OF THE DOUBLE BOND 38
2.3.2 BI2B22 BENT (OR BANANA) DESCRIPTION OF THE DOUBLE BOND 40
2.3.3 HYBRIDIZATION EFFECTS 42
2.3.4 TRIPLE BONDS 46
2.4 THE THREE-CENTRE DOUBLE BOND IN DIBORANE 47
2.5 THE HETEROPOLAR BOND 49
2.6 STEREOCHEMISTRY OF POLYATOMIC MOLECULES 55
IMAGE 2
VIII CONTENTS
2.6.1 THE MOLECULAR ORBITAL MODEL OF DIRECTED VALENCY 55 2.6.2 ANALYSIS
OF THE MO BOND ENERGY 58
2.7 S/?-HYBRIDIZATION EFFECTS IN FIRST-ROW HYDRIDES 60 2.7.1 THE METHANE
MOLECULE 61
2.7.2 THE HYDROGEN FLUORIDE MOLECULE 64
2.7.3 THE WATER MOLECULE 75
2.7.4 THE AMMONIA MOLECULE 87
2.8 DELOCALIZED BONDS 96
2.8.1 THE ETHYLENE MOLECULE 98
2.8.2 THE ALLYL RADICAL 98
2.8.3 THE BUTADIENE MOLECULE 100
2.8.4 THE CYCLOBUTADIENE MOLECULE 102
2.8.5 THE BENZENE MOLECULE 104
2.9 APPENDICES 108
2.9.1 THE SECOND DERIVATIVE OF THE HIICKEL ENERGY 108 2.9.2 THE SET OF
THREE COULSON ORTHOGONAL HYBRIDS 109 2.9.3 CALCULATION OF COEFFICIENTS
OF REAL MOS FOR BENZENE 110
3 AN INTRODUCTION TO BONDING IN SOLIDS 119
3.1 THE LINEAR POLYENE CHAIN 120
3.1.1 BUTADIENE N = 4 122
3.2 THE CLOSED POLYENE CHAIN 123
3.2.1 BENZENE N = 6 126
3.3 A MODEL FOR THE ONE-DIMENSIONAL CRYSTAL 131
3.4 ELECTRONIC BANDS IN CRYSTALS 133
3.5 INSULATORS, CONDUCTORS, SEMICONDUCTORS AND SUPERCONDUCTORS 138
3.6 APPENDIX: THE TRIGONOMETRIC IDENTITY 143
PART 2: LONG-RANGE INTERACTIONS 145
4 THE VAN DER WAALS BOND 147
4.1 INTRODUCTION 147
4.2 ELEMENTS OF RAYLEIGH-SCHRODINGER (RS) PERTURBATION THEORY 149
4.3 MOLECULAR INTERACTIONS 151
4.3.1 NON-EXPANDED ENERGY CORRECTIONS UP TO SECOND ORDER 152
4.3.2 EXPANDED ENERGY CORRECTIONS UP TO SECOND ORDER 153
4.4 THE TWO-STATE MODEL OF LONG-RANGE INTERACTIONS 157
IMAGE 3
CONTENTS IX
4.5 THE VAN DER WAALS INTERACTIONS 159
4.5.1 ATOM-ATOM DISPERSION 161
4.5.2 ATOM-LINEAR MOLECULE DISPERSION 162
4.5.3 ATOM-LINEAR DIPOLAR MOLECULE10 INDUCTION 163 4.6 THE C6 DISPERSION
COEFFICIENT FOR THE H-H INTERACTION 165 4.7 THE VAN DER WAALS BOND 167
4.8 THE KEESOM INTERACTION 169
5 THE HYDROGEN BOND 177
5.1 A MOLECULAR ORBITAL MODEL OF THE HYDROGEN BOND 178 5.2 ELECTROSTATIC
INTERACTIONS AND THE HYDROGEN BOND 179 5.2.1 THE HYDROGEN FLUORIDE DIMER
(HF)2 182
5.2.2 THE WATER DIMER (H20)2 185
5.3 THE ELECTROSTATIC MODEL OF THE HYDROGEN BOND 186 5.4 THE RG-HF
HETERODIMERS 197
REFERENCES 201
AUTHOR INDEX 209
SUBJECT INDEX 213
|
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| dewey-sort | 3541 3224 |
| dewey-tens | 540 - Chemistry and allied sciences |
| discipline | Chemie / Pharmazie |
| edition | 1. publ. |
| format | Book |
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| id | DE-604.BV036736128 |
| illustrated | Illustrated |
| indexdate | 2024-07-09T22:46:55Z |
| institution | BVB |
| isbn | 9780470667026 |
| language | English |
| lccn | 2010013109 |
| oai_aleph_id | oai:aleph.bib-bvb.de:BVB01-020653683 |
| oclc_num | 756280482 |
| open_access_boolean | |
| owner | DE-11 DE-634 DE-355 DE-BY-UBR DE-19 DE-BY-UBM |
| owner_facet | DE-11 DE-634 DE-355 DE-BY-UBR DE-19 DE-BY-UBM |
| physical | XIII, 232 S. graph. Darst. |
| publishDate | 2010 |
| publishDateSearch | 2010 |
| publishDateSort | 2010 |
| publisher | Wiley |
| record_format | marc |
| spelling | Magnasco, Valerio Verfasser aut Models for bonding in chemistry Valerio Magnasco 1. publ. Chichester Wiley 2010 XIII, 232 S. graph. Darst. txt rdacontent n rdamedia nc rdacarrier Includes bibliographical references and index Chemical bonds Zwischenmolekulare Kraft (DE-588)4191346-2 gnd rswk-swf Chemische Bindung (DE-588)4009843-6 gnd rswk-swf Chemische Bindung (DE-588)4009843-6 s DE-604 Zwischenmolekulare Kraft (DE-588)4191346-2 s OEBV Datenaustausch application/pdf http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=020653683&sequence=000001&line_number=0001&func_code=DB_RECORDS&service_type=MEDIA Inhaltsverzeichnis |
| spellingShingle | Magnasco, Valerio Models for bonding in chemistry Chemical bonds Zwischenmolekulare Kraft (DE-588)4191346-2 gnd Chemische Bindung (DE-588)4009843-6 gnd |
| subject_GND | (DE-588)4191346-2 (DE-588)4009843-6 |
| title | Models for bonding in chemistry |
| title_auth | Models for bonding in chemistry |
| title_exact_search | Models for bonding in chemistry |
| title_full | Models for bonding in chemistry Valerio Magnasco |
| title_fullStr | Models for bonding in chemistry Valerio Magnasco |
| title_full_unstemmed | Models for bonding in chemistry Valerio Magnasco |
| title_short | Models for bonding in chemistry |
| title_sort | models for bonding in chemistry |
| topic | Chemical bonds Zwischenmolekulare Kraft (DE-588)4191346-2 gnd Chemische Bindung (DE-588)4009843-6 gnd |
| topic_facet | Chemical bonds Zwischenmolekulare Kraft Chemische Bindung |
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