Electrons in molecules: from basic principles to molecular electronics
Gespeichert in:
| Beteiligte Personen: | , |
|---|---|
| Format: | Buch |
| Sprache: | Englisch |
| Veröffentlicht: |
Oxford
Oxford Univ. Press
2014
|
| Ausgabe: | Reprint. with corr. |
| Schlagwörter: | |
| Links: | http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=027531985&sequence=000003&line_number=0001&func_code=DB_RECORDS&service_type=MEDIA http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=027531985&sequence=000004&line_number=0002&func_code=DB_RECORDS&service_type=MEDIA |
| Beschreibung: | Hier auch später erschienene, unveränderte Nachdrucke |
| Umfang: | XVIII, 491 S. Ill., graph. Darst. |
| ISBN: | 9780199297788 |
Internformat
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| 245 | 1 | 0 | |a Electrons in molecules |b from basic principles to molecular electronics |c Jean-Pierre Launay ; Michel Verdaguer |
| 250 | |a Reprint. with corr. | ||
| 264 | 1 | |a Oxford |b Oxford Univ. Press |c 2014 | |
| 300 | |a XVIII, 491 S. |b Ill., graph. Darst. | ||
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Datensatz im Suchindex
| _version_ | 1819263130058883072 |
|---|---|
| adam_text | Contents
Abbreviations and symbols
xiii
1
Basic concepts l
1.1
Electron: an old, complex, and exciting story
2
1.2
Electrons in atoms
4
1.2.1
The electron in the simplest atom: hydrogen
4
1.2.2
The hydrogenoid ion
7
1.2.3
Helium and other atoms
7
1.3
Electrons
m
molecules
10
1.3.1
Dihydrogen molecule, H2
11
1.3.2 AB
molecules
16
1.3.3
Dioxygen molecule, O2
17
1.3.4
Water molecule
,
H2
О
21
1.3.5
Organic molecular systems
23
1.3.6
Coordination complexes
27
1.3.7
Influence of the electronic structure on the geometric
structure: the
Jahn-Teller
effect
35
1.4
Electrons in molecular solids
39
1.4.1
From molecular rings to infinite linear chains
39
1.4.2
Brillouin zone, energy dispersion curve, Fermi level,
and density of states
43
1.4.3
Peierls distortion
45
1.4.4
Crystal
orbitais:
more than one orbital per cell
46
1.4.5
Towards
3D
systems
48
1.5
Effects of interelectronic repulsion
49
1.5.1
Position of the problem
49
1.5.2
The quantitative molecular orbital (MO) method
54
1.5.3
The valence bond (VB) model: comparison with the MO model
67
1.5.4
Density-functional theory (OFT) methods
73
1.6
A fundamental quantum effect: tunnelling
74
References
77
2
The localized electron: magnetic properties
78
2.1
Introduction
78
2.2
A new look at the electron
81
2.2.1
Orbital and spin angular momenta of the electron
81
2.2.2
Magnetic properties of one electron in an atom
84
2.2.3
The total angular momentum
86
Contents
2.3
Physical quantities, definitions, units, and measurements
86
2.3.1
Physical quantities and definitions
86
2.3.2
Units in magnetism
87
2.3.3
Magnetic measurements
89
2.3.4
Understanding the susceptibilities: from
Langevin
to Van Vleck s formula
94
2.4
Many-electron atoms, mononuclear complexes, and spin
cross-over
99
2.4.1
Many-electron atoms
99
2.4.2
Mononuclear complexes, electronic structure
104
2.4.3
Spin cross-over: phenomenon and models
109
2.5
Spin Harmltoman (SH) approach
127
2.5.1
One-centre spin Harmltom an
128
2.5.2
Two-centre spin Harmltomans with spin operators Si and S2
132
2.5.3
More than two centres
135
2.6
Orbital interactions and exchange
138
2.6.1
Basic theoretical background
140
2.6.2
From hydrogen to transition metal complexes
145
2.6.3
Other models: from the pioneers to modern computations
154
2.6.4
Ferromagnetic and antiferromagnetic coupling in
dinuclear complexes with one spin per centre
157
2.6.5
Complexes with several spins per centre
163
2.7
Extended molecular magnetic systems
172
2.7.1
The one-dimensional world: a Hamiltonian and
synthesis factory
172
2.7.2
Bimetallic ferrimagnetic chains: an improbable route
to
3D
magnets
176
2.7.3
Three-dimensional frameworks, Prussian blue analogues
185
2.8
Magnetic anisotropy and slow relaxation of the magnetization
191
2.8.1
Single-molecule magnets (SMM)
191
2.8.2
Single-chain magnets (SCM)
199
2.8.3
Smgle-ion magnets (SIM)
201
References
202
3
The moving electron: electrical properties
205
3.1
Basic parameters controlling electron transfer
205
3.1.1
The electronic interaction between neighbouring sites
:
the Vab parameter
206
3.1.2
The structural change of the surrounding: the
λ
parameter
209
3.1.3
The interelectromc repulsion: the
U
parameter
217
3.14
The interplay of parameters
217
3.2
Electron transfer in discrete molecular systems
218
3.2.1
Intermolecular transfer
218
3.2.2
Intramolecular transfer: mixed valence compounds
231
3.3
Conductivity in extended molecular solids
266
3.3.1
Conductivity: definitions, models, and significant parameters
266
3.3.2
Extended metallic molecular systems and band theory
269
Contents xi
3.3.3 Peierls
instability in ID: electron-phonon interactions
286
3.3.4
Beyond the one-electron description: narrow-band
systems or no band at all
304
References
323
4
The excited electron: photophysical properties
326
4.1
Introduction
326
4.2
Fundamentals in photophysics: absorption, emission, and
excited states
327
4.2.1
Energy levels
328
4.2.2
Transition probabilities
330
4.2.3
Nuclear relaxation after excitation
332
4.3
Electron transfer in the excited state
333
4.3.1
Properties of the excited state: the example
of [Ru(bpy)3]2+·
333
4.3.2
Molecular
photodiodes
335
4.3.3
Light-emitting diodes (LED)
338
4.3.4
Photovoltaic devices
342
4.3.5
Harnessing photochemical energy: towards water photolysis
345
4.3.6
Ultrafast electron transfer
348
4.4
Energy transfer
351
4.4.1
Theoretical treatment of energy transfer
352
4.4.2
Some examples
358
4.5
Photomagnetism
364
4.5.1
Introduction
364
4.5.2
Photomagnetism in spin cross-over systems
366
4.5.3
Photomagnetism originating from metal-metal charge
transfer
373
References
385
5
The mastered electron: molecular electronics
387
5.1
Introduction and historical account
387
5.2
Hybrid molecular electronics
392
5.2.1
Realization of metai-molecule-metal connections
392
5.2.2
Principles of electrical conduction
m
nanosystems
396
5.2.3
Molecular wires
422
5.2.4
Molecular diode (rectifier)
426
5.2.5
Memory effect and negative differential resistance
in two-terminal devices
431
5.2.6
Two-terminal devices under constraint (pressure, light)
436
5.2.7
Three-terminal devices: field-effect transistor
(FET)
441
5.2.8
Nanotubes, graphene, and devices
443
5.2.9
Molecular spintronics
449
5.3
Behaviour of ensemble of molecules
456
5.3.1
Systems studied in solution
456
5.3.2
Systems studied in the solid state
460
xii Contents
5.4
Towards
quantum
computing
462
5.4.1
Standard quantum
computing
462
5.4.2
Quantum Hamiltonian computing
465
5.5
Conclusion and perspectives
466
References
468
Index
473
This book provides essential keys to a unified understanding of
the rapidly expanding field of molecular materials and devices:
electronic structures and bonding, magnetic, electrical, and
photo-physical properties, and the mastering of electrons in
molecular electronics.
Chemists will discover how basic quantum concepts allow us to
understand the relations between structure, electronic structure,
and properties of molecular entities and assemblies, and to
design new molecules and materials. Physicists and engineers
will realize how the molecular world can fit in with their need for
systems flexible enough to check theories or provide original
solutions to exciting new scientific and technological challenges.
The non-specialist will find out how molecules behave in
electronics at the most minute, sub-nanosize level.
The comprehensive over/iew provided in this book is unique and
will benefit undergraduate and graduate students in chemistry,
materials science, and engineering, as well as researchers
wanting a clear introduction to the world of molecular materials.
|
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| author_facet | Launay, Jean-Pierre 1944- Verdaguer, Michel 1942- |
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| discipline | Chemie / Pharmazie Physik Elektrotechnik / Elektronik / Nachrichtentechnik |
| edition | Reprint. with corr. |
| format | Book |
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| id | DE-604.BV042091131 |
| illustrated | Illustrated |
| indexdate | 2024-12-20T17:02:02Z |
| institution | BVB |
| isbn | 9780199297788 |
| language | English |
| oai_aleph_id | oai:aleph.bib-bvb.de:BVB01-027531985 |
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| physical | XVIII, 491 S. Ill., graph. Darst. |
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| publisher | Oxford Univ. Press |
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| spellingShingle | Launay, Jean-Pierre 1944- Verdaguer, Michel 1942- Electrons in molecules from basic principles to molecular electronics Chemische Bindung (DE-588)4009843-6 gnd Molekularelektronik (DE-588)4170394-7 gnd |
| subject_GND | (DE-588)4009843-6 (DE-588)4170394-7 |
| title | Electrons in molecules from basic principles to molecular electronics |
| title_auth | Electrons in molecules from basic principles to molecular electronics |
| title_exact_search | Electrons in molecules from basic principles to molecular electronics |
| title_full | Electrons in molecules from basic principles to molecular electronics Jean-Pierre Launay ; Michel Verdaguer |
| title_fullStr | Electrons in molecules from basic principles to molecular electronics Jean-Pierre Launay ; Michel Verdaguer |
| title_full_unstemmed | Electrons in molecules from basic principles to molecular electronics Jean-Pierre Launay ; Michel Verdaguer |
| title_short | Electrons in molecules |
| title_sort | electrons in molecules from basic principles to molecular electronics |
| title_sub | from basic principles to molecular electronics |
| topic | Chemische Bindung (DE-588)4009843-6 gnd Molekularelektronik (DE-588)4170394-7 gnd |
| topic_facet | Chemische Bindung Molekularelektronik |
| url | http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=027531985&sequence=000003&line_number=0001&func_code=DB_RECORDS&service_type=MEDIA http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=027531985&sequence=000004&line_number=0002&func_code=DB_RECORDS&service_type=MEDIA |
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