Theoretical And Computational Aspects Of Magnetic Organic Molecules, 1st Edition

  • Published By: Imperial College Press
  • ISBN-10: 1908977221
  • ISBN-13: 9781908977229
  • DDC: 541.378
  • Grade Level Range: College Freshman - College Senior
  • 348 Pages | eBook
  • Original Copyright 2013 | Published/Released January 2015
  • This publication's content originally published in print form: 2013

  • Price:  Sign in for price



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.

Table of Contents

Front Cover.
Half Title Page.
Title Page.
Copyright Page.
1: Introduction to Magnetism.
2: Organic Molecules, Radicals, and Spin States.
3: Theoretical Methodologies.
4: Molecular Orbital Description of Magnetic Organic Systems.
5: Qualitative Methods for Predicting Molecular Spin States.
6: Quantum Chemical Calculations: Structural Trends.
7: Strongly Coupled Magnetic Molecules.
8: Photomagnetic Effects.
9: Transition Metal Complexes.
10: Computational Studies of Inorganic Clusters and Solid Systems.
11: A Look Ahead.