EPR of free radicals in solids : trends in methods and applications

書誌事項

EPR of free radicals in solids : trends in methods and applications

edited by Anders Lund and Masaru Shiotani

(Progress in theoretical chemistry and physics, v. A24, A25)

Springer, c2013

2nd ed.

  • v. 1
  • v. 2

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内容説明・目次

巻冊次

v. 2 ISBN 9789400748866

内容説明

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.

目次

EPR studies of atomic impurities in rare gas matrices.- Organic Radical Cations and Neutral Radicals Produced by Radiation in Low-Temperature Matrices.- Molecule-Based Exchange-Coupled High-Spin Clusters - Conventional, High-Field/High-Frequency and Pulse-Based Electron Spin Resonance of Molecule-Based Magnetically Coupled Systems.- Novel Applications of ESR/EPR: Quantum Computing/Quantum Information Processing.- High Spin Molecules Directed Towards Molecular Magnets.- Electron Transfer and Structure of Plant Photosystem II.- Applications of EPR in the Environmental Sciences.- Some Recent Developments of EPR Dosimetry.- Optically Detected Magnetic Resonance of Defects in Semiconductors.
巻冊次

v. 1 ISBN 9789400748927

内容説明

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.

目次

Continuous Wave EPR of Radicals in Solids (Anders Lund and Wei Liu).- Pulse EPR of Paramagnetic Centers in Solid Phases (Marina Brustolon and Antonio Barbon).- Dynamical Effects in CW and Pulsed EPR.- Deuterium Labeling Studies and Quantum Effects of Radicals in Solids (Nikolas- Ploutarch Benetis, Yurij Dmitriev).- XSophe - Sophe - XeprView and Molecular Sophe: Computer Simulation Software (Masaru Shiotani and Kenji Komaguchi).- Suites for the Analysis of Continuous Wave and Pulsed EPR and ENDOR Spectra (Graeme R. Hanson, Christopher J. Noble, Simon Benson).- The Calculation of the Hyperfine Coupling Tensors of Biological Radicals (Fuqiang Ban, James W. Gauld, Stacey D. Wetmore and Russell J. Boyd).- Ab initio and Density Functional Calculations of Electronic g-Tensors for Organic Radicals (Martin Kaupp).- Quantum Chemical Calculations of the Zero-Field Splitting Tensors for Organic Spin Multiplets (Kenji Sugisaki, Kazuo Toyota, Kazunobu Sato, Daisuke Shiomi, Masahiro Kitagawa and Takeji Takui).

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