EPR of Free Radicals in Solids: Trends in Methods and Applications presents methods and applications of modern EPR for the study of free radical processes in solids, which so far are only available in the journal literature. The first part of the book, covering trends in methods, contains experimentally oriented chapters on continuous wave and pulsed EPR techniques and special methods involving muon magnetic resonance and optical detection and theory for dynamic studies. New simulation schemes, including the influence of dynamics, are presented as well as advances in the calculation of hyperfine and electronic g-tensors. The second part of the book presents applications involving studies of radiation and photo-induced inorganic and organic radicals in inert matrices, including novel results of quantum effects in small radicals. High-spin molecules and complexes are also considered as well as radical processes in photosynthesis. Recent advances in EPR dosimetry are summarized.

EPR of Free Radicals in Solids: Trends in Methods and Applications, 2nd ed. presents a critical two volume review of the methods and applications of EPR (ESR) for the study of free radical processes in solids. Emphasis is on the progress made in the developments in EPR technology, in the application of sophisticated matrix isolation techniques and in the advancement in quantitative EPR that have occurred since the 1st edition was published. Improvements have been made also at theoretical level, with the development of methods based on first principles and their application to the calculation of magnetic properties as well as in spectral simulations. EPR of Free Radicals in Solids I focuses on the trends in experimental and theoretical methods to extract structural and dynamical properties of radicals and spin probes in solid matrices by continuous wave (CW) and pulsed techniques. It presents simulation techniques and software for CW and pulsed EPR as well as studies of quantum effects at low temperature. The chapters dealing with quantum chemistry methods for the theoretical interpretation of hyperfine coupling tensors and g-tensors have been much extended in this edition and a new chapter on the calculation of zero-field splitting tensors has been added. This new edition is a valuable resource to experimentalists and theoreticians in research involving free radicals, as well as for students of advanced courses in physical chemistry, chemical physics, materials science, biophysics, biochemistry and related fields. This new edition is a valuable resource to experimentalists and theoreticians in research involving free radicals, as well as for students of advanced courses in physical chemistry, chemical physics, materials science, biophysics, biochemistry and related fields.

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.

It is now more than 20 years since the book "Radical Ions" edited by Kaiser and Kevan appeared. It contained aspects regarding generation, identification, spin density determination and reactivity of charged molecules with an odd number of electrons. New classes of reactive ion radicals have been detected and characterised since then, most notably cation radicals of saturated organic compounds. Trapping of electrons has been found to occur not only in frozen glasses but also in organic crystals. The structure and reactions of anion radicals of saturated compounds have been clarified during the last 20 years. We have asked leading experts in the field to write separate chapters about cation radicals, anion radicals and trapped electrons as well as more complex systems of biological or technological interest. More attention is paid to recent studies of the ions of saturated compounds than to the older and previously reviewed work on aromatic ions. In the case of trapped electrons full coverage is out of the question, and focus is on recent efforts to characterise the solvation structure in ordered and disordered systems.

This volume focuses on the use of quantum theory to understand and explain experiments in organic chemistry. High level ab initio calculations, when properly performed, are useful in making quantitative distinctions between various possible interpretations of structures, reactions and spectra. Chemical reasoning based on simpler quantum models is, however, essential to enumerating the likely possibilities. The simpler models also often suggest the type of wave function likely to be involved in ground and excited states at various points along reaction paths. This preliminary understanding is needed in order to select the appropriate higher level approach since most higher level models are designed to describe improvements to some reasonable zeroth order wave function. Consequently, most of the chapters in this volume begin with experimental facts and model functions and then progress to higher level theory only when quantitative results are required.In the first chapter, Zimmerman discusses a wide variety of thermal and photochemical reactions of organic molecules. Gronert discusses the use of ab initio calculations and experimental facts in deciphering the mechanism of ?-elimination reactions in the gas phase. Bettinger et al focus on carbene structures and reactions with comparison of the triplet and singlet states. Next, Hrovat and Borden discuss more general molecules with competitive triplet and singlet contenders for the ground state structure. Cave explains the difficulties and considerations involved with many of the methods and illustrates the difficulties by comparing with the UV spectra of short polyenes. Jordan et al discuss long-range electron transfer using model compounds and model Hamiltonians. Finally, Hiberty discusses the breathing orbital valence bond model as a different approach to introducing the crucial åã correlation that is known to be important in organic reactions.

EPR of Free Radicals in Solids: Trends in Methods and Applications, 2nd ed. presents a critical two volume review of the methods and applications of EPR (ESR) for the study of free radical processes in solids. Emphasis is on the progress made in the developments in EPR technology, in the application of sophisticated matrix isolation techniques and in the advancement in quantitative EPR that have occurred since the 1st edition was published. Improvements have been made also at theoretical level, with the development of methods based on first principles and their application to the calculation of magnetic properties as well as in spectral simulations. EPR of Free Radicals in Solids II focuses on the trends in applications of experimental and theoretical methods to extract structural and dynamical properties of radicals and spin probes in solid matrices by continuous wave (CW) and pulsed techniques in nine chapters written by experts in the field. It examines the studies involving radiation- and photo-induced inorganic and organic radicals in inert matrices, the high-spin molecules and metal-based molecular clusters as well as the radical pro-cesses in photosynthesis. Recent advancements in environmental applications in-cluding measurements by myon resonance of radicals on surfaces and by quantitative EPR in dosimetry are outlined and the applications of optical detection in material research with much increased sensitivity reviewed. The potential use of EPR in quantum computing is considered in a newly written chapter. This new edition is aimed to experimentalists and theoreticians in research involving free radicals, as well as for students of advanced courses in physical chemis-try, chemical physics, materials science, biophysics, biochemistry and related fields.

Applications of EPR in Radiation Research is a multi-author contributed volume presented in eight themes: I. Elementary radiation processes (in situ and low temperature radiolysis, quantum solids); II: Solid state radiation chemistry (crystalline, amorphous and heterogeneous systems); III: Biochemistry, biophysics and biology applications (radicals in biomaterials, spin trapping, free-radical-induced DNA damage); IV: Materials science (polymeric and electronic materials, materials for treatment of nuclear waste, irradiated food); V: Radiation metrology (EPR-dosimetry, retrospective and medical applications); VI: Geological dating; VII: Advanced techniques (PELDOR, ESE and ENDOR spectroscopy, matrix isolation); VIII: Theoretical tools (density-functional calculations, spectrum simulations).