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Spin Dynamics in Radical Pairs

Spin Dynamics in Radical Pairs
Author: Alan Lewis
Publisher:
Total Pages:
Release: 2018
Genre: Electrons
ISBN: 9783030006877

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This book sheds new light on the dynamical behaviour of electron spins in molecules containing two unpaired electrons (i.e. a radical pair). The quantum dynamics of these spins are made complicated by the interaction between the electrons and the many nuclear spins of the molecule; they are intractable using analytical techniques, and a naïve numerical diagonalization is not remotely possible using current computational resources. Hence, this book presents a new method for obtaining the exact quantum-mechanical dynamics of radical pairs with a modest number of nuclear spins. Readers will learn how a calculation that would take 13 years using conventional wavepacket propagation can now be done in 1 day, and will also discover a new semiclassical method for approximating the dynamics in the presence of many nuclear spins. The new methods covered in this book are shown to provide significant insights into three topical and diverse areas: charge recombination in molecular wires (which can be used in artificially mimicking photosynthesis), magnetoelectroluminescence in organic light-emitting diodes, and avian magnetoreception (how birds sense the Earth's magnetic field in order to navigate).


Spin Dynamics in Radical Pairs

Spin Dynamics in Radical Pairs
Author: Alan Lewis
Publisher: Springer
Total Pages: 156
Release: 2018-09-12
Genre: Science
ISBN: 3030006867

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This book sheds new light on the dynamical behaviour of electron spins in molecules containing two unpaired electrons (i.e. a radical pair). The quantum dynamics of these spins are made complicated by the interaction between the electrons and the many nuclear spins of the molecule; they are intractable using analytical techniques, and a naïve numerical diagonalization is not remotely possible using current computational resources. Hence, this book presents a new method for obtaining the exact quantum-mechanical dynamics of radical pairs with a modest number of nuclear spins. Readers will learn how a calculation that would take 13 years using conventional wavepacket propagation can now be done in 1 day, and will also discover a new semiclassical method for approximating the dynamics in the presence of many nuclear spins. The new methods covered in this book are shown to provide significant insights into three topical and diverse areas: charge recombination in molecular wires (which can be used in artificially mimicking photosynthesis), magnetoelectroluminescence in organic light-emitting diodes, and avian magnetoreception (how birds sense the Earth’s magnetic field in order to navigate).


Introduction to Dynamic Spin Chemistry

Introduction to Dynamic Spin Chemistry
Author: Hisaharu Hayashi
Publisher: World Scientific
Total Pages: 272
Release: 2004
Genre: Science
ISBN: 9789812384232

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Readership: Graduate students, researchers and industrialists in chemistry, physics and biology.


The Radical Pair Mechanism and the Avian Chemical Compass

The Radical Pair Mechanism and the Avian Chemical Compass
Author:
Publisher:
Total Pages: 60
Release: 2015
Genre:
ISBN:

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We review the spin radical pair mechanism which is a promising explanation of avian navigation. This mechanism is based on the dependence of product yields on 1) the hyperfine interaction involving electron spins and neighboring nuclear spins and 2) the intensity and orientation of the geomagnetic field. One surprising result is that even at ambient conditions quantum entanglement of electron spins can play an important role in avian magnetoreception. This review describes the general scheme of chemical reactions involving radical pairs generated from singlet and triplet precursors; the spin dynamics of the radical pairs; and the magnetic field dependence of product yields caused by the radical pair mechanism. The main part of the review includes a description of the chemical compass in birds. We review: the general properties of the avian compass; the basic scheme of the radical pair mechanism; the reaction kinetics in cryptochrome; quantum coherence and entanglement in the avian compass; and the effects of noise. We believe that the quantum avian compass can play an important role in avian navigation and can also provide the foundation for a new generation of sensitive and selective magnetic-sensing nano-devices.


Carbon-Centered Free Radicals and Radical Cations

Carbon-Centered Free Radicals and Radical Cations
Author: Malcolm D. Forbes
Publisher: John Wiley & Sons
Total Pages: 300
Release: 2010-01-22
Genre: Science
ISBN: 9780470584101

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Covers the most advanced computational and experimental methods for studying carbon-centered radical intermediates With its focus on the chemistry of carbon-centered radicals and radical cations, this book helps readers fully exploit the synthetic utility of these intermediates in order to prepare fine chemicals and pharmaceutical products. Moreover, it helps readers better understand their role in complex atmospheric reactions and biological systems. Thoroughly up to date, the book highlights the most advanced computational and experimental methods available for studying and using these critically important intermediates. Carbon-Centered Free Radicals and Radical Cations begins with a short history of the field of free radical chemistry, and then covers: A discussion of the relevant theory Mechanistic chemistry, with an emphasis on synthetic utility Molecular structure and mechanism, focusing on computational methods Spectroscopic investigations of radical structure and kinetics, including demonstrations of spin chemistry techniques such as CIDNP and magnetic field effects Free radical chemistry in macromolecules Each chapter, written by one or more leading experts, explains difficult concepts clearly and concisely, with references to facilitate further investigation of individual topics. The authors were selected in order to provide insight into a broad range of topics, including small molecule synthesis, polymer degradation, computational chemistry as well as highly detailed experimental work in the solid, liquid, and gaseous states. This volume is essential for students or researchers interested in building their understanding of the role of carbon-centered radical intermediates in complex systems and how they may be used to develop a broad range of useful products.


Lectures on Spin Dynamics

Lectures on Spin Dynamics
Author: Giuseppe Pileio
Publisher: Royal Society of Chemistry
Total Pages: 229
Release: 2022-06-13
Genre: Science
ISBN: 1839166681

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This book consists of a series of lectures introducing what the author believes to be the theoretical minimum for the understanding of nuclear spin dynamics, the branch of physics underpinning magnetic resonance techniques such as NMR and MRI. Spin dynamics ultimately concern the study of the state and time evolution of systems made by a large collection of particles possessing spin, one of the most subtle and indeed fascinating concepts in relativistic quantum mechanics and whose understanding requires a mix of quantum mechanics, Hamiltonian dynamics and advanced mathematics. Written in the concise and direct style appropriate for university lectures, this book is addressed to both undergraduate and postgraduate students who are approaching magnetic resonance studies and want to reach the theoretical minimum required to understand the wider topic and its main applications. The book is suitable for researchers who work in the field of magnetic resonance and want to know more about its theoretical fundamentals. Finally, built as a complete set of 12 lectures and 4 workshops, the book can act as a solid reference to lecturers of magnetic resonance university modules. Trained in a world-leading research laboratory internationally recognised for its contributions to the NMR field, the author has a track record in theoretical and methodological developments of nuclear spin dynamics. In this book, he tries to merge his passion for the understanding of physics through its mathematical rendering with his personal quest for the elegance of a clean, clear and satisfactory explanation.