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Electrons in Molecules: From Basic Principles to Molecular Electronics Revised edition [Mīkstie vāki]

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(Emeritus Professor of Chemistry, Université Pierre et Marie Curie, Paris, France), (Emeritus Professor of Chemistry, Université Paul Sabatier, Toulouse and Institut Universitaire de France)
  • Formāts: Paperback / softback, 608 pages, height x width x depth: 247x190x30 mm, weight: 1276 g
  • Izdošanas datums: 21-Dec-2017
  • Izdevniecība: Oxford University Press
  • ISBN-10: 0198814593
  • ISBN-13: 9780198814597
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Electrons in Molecules: From Basic Principles to Molecular Electronics Revised editionPalielināt
  • Formāts: Paperback / softback, 608 pages, height x width x depth: 247x190x30 mm, weight: 1276 g
  • Izdošanas datums: 21-Dec-2017
  • Izdevniecība: Oxford University Press
  • ISBN-10: 0198814593
  • ISBN-13: 9780198814597
Citas grāmatas par šo tēmu:
Permanent link: https://www.kriso.lv/db/9780198814597.html
Keywords:
The purpose of this book is to provide the reader with 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.

This book provides the reader with 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. This revised edition includes updates and additions on hot topics such as molecular spintronics (the role of spin in electron transport) and molecular machines (how electrons can generate molecular motions).

Chemists will discover how to understand the relations between electronic structures and properties of molecular entities and assemblies, and to design new molecules and materials. Physicists and engineers will realize how the molecular world fits 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.
Abbreviations and symbols xiii
1 Basic concepts 1(86)
1.1 Electron: an old, complex and exciting story
2(2)
1.2 Electrons in atoms
4(7)
1.2.1 The electron in the simplest atom: hydrogen
4(4)
1.2.2 The hydrogenoid ion
8(1)
1.2.3 Helium and other atoms
8(3)
1.3 Electrons in molecules
11(32)
1.3.1 Dihydrogen molecule, H2
12(5)
1.3.2 AB molecules
17(2)
1.3.3 Dioxygen molecule, O2
19(4)
1.3.4 Water molecule, H2O
23(2)
1.3.5 Organic molecular systems
25(4)
1.3.6 Coordination complexes
29(9)
1.3.7 Influence of the electronic structure on the geometric structure: Jahn-Teller effect
38(5)
1.4 Electrons in molecular solids
43(11)
1.4.1 From molecular rings to infinite linear chains
43(5)
1.4.2 Brillouin zone, energy dispersion curve, Fermi level, density of states
48(2)
1.4.3 Peierls distortion
50(1)
1.4.4 Crystal orbitals: more than one orbital per cell
51(3)
1.4.5 Towards 3D systems
54(1)
1.5 Effects of interelectronic repulsion
54(28)
1.5.1 Position of the problem
55(5)
1.5.2 The quantitative Molecular Orbital (MO) method
60(14)
1.5.3 Valence Bond (VB) model: comparison with MO model
74(7)
1.5.4 Density functional theory (DFT) methods
81(1)
1.6 A fundamental quantum effect: tunnelling
82(3)
References
85(2)
2 The localized electron: magnetic properties 87(140)
2.1 Introduction
87(3)
2.1.1 Localization, delocalization, electron transfer
87(3)
2.2 A new look at the electron
90(5)
2.2.1 Orbital and spin angular momenta of the electron
90(3)
2.2.2 Magnetic properties of one electron in an atom
93(2)
2.2.3 The total angular momentum
95(1)
2.3 Physical quantities, definitions, units, measurements
95(14)
2.3.1 Physical quantities and definitions
95(1)
2.3.2 Units in magnetism
96(2)
2.3.3 Magnetic measurements
98(6)
2.3.4 Understanding the susceptibilities: from Langevin to Van Vleck's formula
104(5)
2.4 Many-electron atoms, mononuclear complexes and spin cross-over
109(32)
2.4.1 Many-electron atoms
109(6)
2.4.2 Mononuclear complexes, electronic structure
115(6)
2.4.3 Spin cross-over: phenomenon and models
121(20)
2.5 Spin Hamiltonian (SH) approach
141(12)
2.5.1 One-centre spin Hamiltonian
142(4)
2.5.2 Two-centre spin Hamiltonians with spin operators S1 and S2
146(4)
2.5.3 More than two centres
150(3)
2.6 Orbital interactions and exchange
153(37)
2.6.1 Basic theoretical background
156(5)
2.6.2 From hydrogen to transition metal complexes
161(10)
2.6.3 Other models: from the pioneers to modern computations
171(4)
2.6.4 Ferromagnetic and antiferromagnetic coupling in dinuclear complexes with one spin per centre
175(6)
2.6.5 Complexes with several spins per centre
181(9)
2.7 Extended molecular magnetic systems
190(21)
2.7.1 The one-dimensional world: a Hamiltonian and synthesis factory
191(4)
2.7.2 Bimetallic ferrimagnetic chains: an improbable route to 3D magnets
195(10)
2.7.3 Three-dimensional frameworks, Prussian Blue analogues
205(6)
2.8 Magnetic anisotropy and slow relaxation of the magnetization
211(12)
2.8.1 Single-molecule magnets (SMM)
212(8)
2.8.2 Single-chain magnets (SCM)
220(1)
2.8.3 Single-ion magnets (SIM)
221(2)
References
223(4)
3 The moving electron: electrical properties 227(139)
3.1 Basic parameters controlling electron transfer
227(14)
3.1.1 The electronic interaction between neighbouring sites: the Vab parameter
228(4)
3.1.2 The structural change of the surrounding: the lambda parameter
232(8)
3.1.3 The interelectronic repulsion: the U parameter
240(1)
3.1.4 The interplay of parameters
240(1)
3.2 Electron transfer in discrete molecular systems
241(60)
3.2.1 Intermolecular transfer
242(14)
3.2.2 Intramolecular transfer: mixed valence compounds
256(40)
3.2.3 Electron transfer in proteins
296(5)
3.3 Conductivity in extended molecular solids
301(61)
3.3.1 Conductivity: definitions, models and significant parameters
301(3)
3.3.2 Extended metallic molecular systems and band theory
304(18)
3.3.3 Peierls instability in 1D: electron-phonon interactions
322(20)
3.3.4 Beyond the one-electron description: narrow-band systems or no band at all
342(20)
References
362(4)
4 The excited electron: photophysical properties 366(72)
4.1 Introduction
366(2)
4.2 Fundamentals in photophysics: absorption, emission and excited states
368(8)
4.2.1 Energy levels
368(2)
4.2.2 Transition probabilities
370(2)
4.2.3 Nuclear relaxation after excitation
372(3)
4.2.4 A simple photochemical process
375(1)
4.3 Electron transfer in the excited state
376(21)
4.3.1 Properties of the excited state: the example of [ Ru(bpy)3] 2+*
377(2)
4.3.2 Molecular photodiodes
379(3)
4.3.3 Light Emitting Diodes (LEDs)
382(5)
4.3.4 Photovoltaic devices
387(4)
4.3.5 Harnessing chemical energy: towards water photolysis
391(4)
4.3.6 Ultrafast electron transfer
395(2)
4.4 Energy transfer
397(17)
4.4.1 Theoretical treatment of energy transfer
398(8)
4.4.2 Some examples
406(8)
4.5 Photomagnetism
414(21)
4.5.1 Introduction
414(1)
4.5.2 Photomagnetism in spin cross-over systems
415(6)
4.5.3 Photomagnetism originating from metal-metal charge transfer
421(14)
References
435(3)
5 The mastered electron: molecular electronics and spintronics, molecular machines 438(133)
5.1 Introduction
438(9)
5.1.1 Molecular electronics, a historical account
438(6)
5.1.2 Molecular spintronics, a historical account
444(2)
5.1.3 Molecular machines, a short historical account
446(1)
5.2 Hybrid molecular electronics
447(68)
5.2.1 Realization of metal-molecule-metal connections
447(3)
5.2.2 Principles of electrical conduction in nanosystems
450(33)
5.2.3 Molecular wires
483(5)
5.2.4 Molecular diode (rectifier)
488(6)
5.2.5 Memory effect and negative differential resistance in two-terminal devices
494(7)
5.2.6 Two-terminal devices under constraint (pressure, light)
501(4)
5.2.7 Three-terminal devices: field-effect transistor (FET)
505(3)
5.2.8 Nanotubes, graphene and devices
508(7)
5.3 Molecular spintronics
515(20)
5.3.1 Basics of spintronics
515(5)
5.3.2 Molecular spintronics: why molecules?
520(4)
5.3.3 Recent realizations in molecular spintronics
524(11)
5.4 Molecular resources for molecular electronics
535(7)
5.4.1 Systems studied in solution
535(5)
5.4.2 Systems studied in the solid state
540(2)
5.5 Molecular approaches to quantum computing
542(5)
5.5.1 Standard quantum computing
543(2)
5.5.2 Quantum Hamiltonian computing
545(2)
5.6 Molecular machines
547(15)
5.6.1 Introduction and definition
547(1)
5.6.2 Machines based on interlocked molecules
548(3)
5.6.3 Machines based on non-interlocked molecules
551(6)
5.6.4 The problem of motion directionality
557(5)
5.7 Conclusion and perspectives
562(2)
References
564(7)
Index 571
After studies at Ecole Normale Supérieure (ENS) de Saint-Cloud, Jean-Pierre Launay was Assistant Professor at Université Pierre et Marie Curie in Paris from 1967. His research was on the electrochemistry of polyoxoanions, and mixed valence systems. He was appointed Professor in 1983 and developed investigations on molecular electronics. In 1989, he moved to Toulouse, and led the "Centre for Materials Elaboration and Structural Studies", a CNRS laboratory, from 2003 to 2010. He has been a member of Institut Universitaire de France. He has also worked on molecular machines such as rotary motors and switching elements. He holds awards from the French Chemical Society and the French Academy of Sciences.

Following a career as a secondary school teacher and Assistant Professor at Ecole Normale Supérieure (ENS) de Saint-Cloud, Michel Verdaguer became Professor at the Université Pierre et Marie Curie in Paris in 1988. His research endeavours concentrate on molecular magnetism, in which field he has developed a rational approach to new systems, from quantum chemistry to applications (Haldane's gap, high spin molecules, room-temperature magnets, single molecule magnets). He developed synchrotron radiation studies in the field of molecular materials. He led the "Inorganic Chemistry and Molecular Materials Laboratory", associated to CNRS, from 1994 to 2001. He is presently engaged in the study of molecular multifunctional magnetic materials. He holds awards from the Spanish and French chemical societies and from the French Academy of Sciences.