Theoretical and Computational Aspects of Magnetic Organic Molecules

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Opis: Theoretical and Computational Aspects of Magnetic Organic Molecules - Francesc Illas, Carl Trindle, Sambhu Datta

Organic materials with extraordinary magnetic properties promise a wide range of light, flexible, and inexpensive alternatives to familiar metal-based magnets. Individual organic molecules with high magnetic moments will be the foundation for design and fabrication of these materials. This book provides a systematic understanding of the structure and properties of organic magnetic molecules. After a summary of the phenomenon of magnetism at the molecular level, it presents a survey of the challenges to theoretical description and evaluation of the magnetic character of open-shell molecules, and an overview of recently developed methods and their successes and shortfalls. Several fields of application, including very strong organic molecular magnets and photo-magnetic switches, are surveyed. Finally, discussions on metal-based materials and simultaneously semiconducting and ferromagnetic extended systems and solids point the way toward future advances. The reader will find a comprehensive discourse on current understanding of magnetic molecules, a thorough survey of computational methods of characterizing known and imagined molecules, simple rules for design of larger magnetic systems, and a guide to opportunities for progress toward organic magnets. The new text by Datta, Trindle, and Illas regarding magnetic materials composed of light elements is a unique resource for design of paramagnetic organic materials. A review of experimental techniques and computational methods related to magnetic materials is given along with illustrative spin-density diagrams showing the spin alternation rule, which can guide synthesis of high-spin organic materials. A potential application of these discussions is the design of polymeric materials with transition metals and lanthanides and linking ligands that support delocalized spin density which could provide magnetic coupling between the high spin metal ions. In such research this text should be a valuable source of ideas in the search for light weight magnetic materials. -- Don Shillady "Emeritus Professor of Chemistry, Virginia Commonwealth University"Introduction to Magnetism; Organic Molecules, Radicals and Spin States; Theoretical Methodologies; Molecular Orbital Description of Magnetic Organic Systems; Qualitative Guides to Preferred Spin States: The Spin Alternation Rule; Quantum Chemical Calculations: Structural Trends; Highly Magnetic Systems; Photo-Magnetic Switches; Theory of Spin Hamiltonians: Magnetic Coupling in Transition Metal Complexes; Computational Studies of Inorganic Clusters and Solid Systems; New Horizons in Molecular Magnetic Materials.


Szczegóły: Theoretical and Computational Aspects of Magnetic Organic Molecules - Francesc Illas, Carl Trindle, Sambhu Datta

Tytuł: Theoretical and Computational Aspects of Magnetic Organic Molecules
Autor: Francesc Illas, Carl Trindle, Sambhu Datta
Producent: Imperial College Press
ISBN: 9781908977212
Rok produkcji: 2014
Ilość stron: 250
Oprawa: Twarda
Waga: 0.68 kg


Recenzje: Theoretical and Computational Aspects of Magnetic Organic Molecules - Francesc Illas, Carl Trindle, Sambhu Datta

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Theoretical and Computational Aspects of Magnetic Organic Molecules

, ,

Organic materials with extraordinary magnetic properties promise a wide range of light, flexible, and inexpensive alternatives to familiar metal-based magnets. Individual organic molecules with high magnetic moments will be the foundation for design and fabrication of these materials. This book provides a systematic understanding of the structure and properties of organic magnetic molecules. After a summary of the phenomenon of magnetism at the molecular level, it presents a survey of the challenges to theoretical description and evaluation of the magnetic character of open-shell molecules, and an overview of recently developed methods and their successes and shortfalls. Several fields of application, including very strong organic molecular magnets and photo-magnetic switches, are surveyed. Finally, discussions on metal-based materials and simultaneously semiconducting and ferromagnetic extended systems and solids point the way toward future advances. The reader will find a comprehensive discourse on current understanding of magnetic molecules, a thorough survey of computational methods of characterizing known and imagined molecules, simple rules for design of larger magnetic systems, and a guide to opportunities for progress toward organic magnets. The new text by Datta, Trindle, and Illas regarding magnetic materials composed of light elements is a unique resource for design of paramagnetic organic materials. A review of experimental techniques and computational methods related to magnetic materials is given along with illustrative spin-density diagrams showing the spin alternation rule, which can guide synthesis of high-spin organic materials. A potential application of these discussions is the design of polymeric materials with transition metals and lanthanides and linking ligands that support delocalized spin density which could provide magnetic coupling between the high spin metal ions. In such research this text should be a valuable source of ideas in the search for light weight magnetic materials. -- Don Shillady "Emeritus Professor of Chemistry, Virginia Commonwealth University"Introduction to Magnetism; Organic Molecules, Radicals and Spin States; Theoretical Methodologies; Molecular Orbital Description of Magnetic Organic Systems; Qualitative Guides to Preferred Spin States: The Spin Alternation Rule; Quantum Chemical Calculations: Structural Trends; Highly Magnetic Systems; Photo-Magnetic Switches; Theory of Spin Hamiltonians: Magnetic Coupling in Transition Metal Complexes; Computational Studies of Inorganic Clusters and Solid Systems; New Horizons in Molecular Magnetic Materials.

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Cena 841,49 PLN
Nasza cena 822,56 PLN
Oszczędzasz 2%
Wysyłka: Niedostępna
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Szczegóły: Theoretical and Computational Aspects of Magnetic Organic Molecules - Francesc Illas, Carl Trindle, Sambhu Datta

Tytuł: Theoretical and Computational Aspects of Magnetic Organic Molecules
Autor: Francesc Illas, Carl Trindle, Sambhu Datta
Producent: Imperial College Press
ISBN: 9781908977212
Rok produkcji: 2014
Ilość stron: 250
Oprawa: Twarda
Waga: 0.68 kg


Recenzje: Theoretical and Computational Aspects of Magnetic Organic Molecules - Francesc Illas, Carl Trindle, Sambhu Datta

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