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Electronic Structure And Excited State Properties Of Some Transition Metal Complexes Having A Lowest Energy Metal To Ligand Charge Transfer State
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Book Synopsis Electronic structure and excited state properties of some transition metal complexes having a lowest energy metal to ligand charge transfer state by : Peter C. Servaas
Download or read book Electronic structure and excited state properties of some transition metal complexes having a lowest energy metal to ligand charge transfer state written by Peter C. Servaas and published by . This book was released on 1991 with total page 101 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Electronic Structure and Properties of Transition Metal Compounds by : Isaac B. Bersuker
Download or read book Electronic Structure and Properties of Transition Metal Compounds written by Isaac B. Bersuker and published by John Wiley & Sons. This book was released on 2010-12-01 with total page 658 pages. Available in PDF, EPUB and Kindle. Book excerpt: With more than 40% new and revised materials, this second edition offers researchers and students in the field a comprehensive understanding of fundamental molecular properties amidst cutting-edge applications. Including ~70 Example-Boxes and summary notes, questions, exercises, problem sets, and illustrations in each chapter, this publication is also suitable for use as a textbook for advanced undergraduate and graduate students. Novel material is introduced in description of multi-orbital chemical bonding, spectroscopic and magnetic properties, methods of electronic structure calculation, and quantum-classical modeling for organometallic and metallobiochemical systems. This is an excellent reference for chemists, researchers and teachers, and advanced undergraduate and graduate students in inorganic, coordination, and organometallic chemistry.
Book Synopsis Electronic Structure, Correlation Effects and Physical Properties of D- and F-metals and Their Compounds by : Valentin Yu Irkhin
Download or read book Electronic Structure, Correlation Effects and Physical Properties of D- and F-metals and Their Compounds written by Valentin Yu Irkhin and published by Cambridge Int Science Publishing. This book was released on 2007 with total page 464 pages. Available in PDF, EPUB and Kindle. Book excerpt: The book includes all main physical properties of d- and f-transition-metal systems and corresponding theoretical concepts. Special attention is paid to the theory of magnetism and transport phenomena. Some examples of non-traditional questions which are treated in detail in the book: the influence of density of states singularities on electron properties; many-electron description of strong itinerant magnetism; mechanisms of magnetic anisotropy; microscopic theory of anomalous transport phenomena in ferromagnets. Besides considering classical problems of solid state physics as applied to transition metals, modern developments in the theory of correlation effects in d- and f-compounds are considered within many-electron models. The book contains, where possible, a simple physical discussion. More difficult questions are considered in Appendices.
Book Synopsis Electronic Structure and Reactivity of Transition Metal Complexes Incorporating Pro-radical Bis-phenoxide Ligands by : Ryan Michael Clarke
Download or read book Electronic Structure and Reactivity of Transition Metal Complexes Incorporating Pro-radical Bis-phenoxide Ligands written by Ryan Michael Clarke and published by . This book was released on 2018 with total page 194 pages. Available in PDF, EPUB and Kindle. Book excerpt: Transition metal complexes with pro-radical ligands have received considerable research attention due to their interesting electronic structures, photophysical properties, and applications in catalysis. The relative ordering of metal and ligand frontier orbitals in a complex incorporating pro-radical ligands dictates whether oxidation/reduction occurs at the metal centre or at the ligand. Many metalloenzymes couple redox events at multiple metal centres or between metals and pro-radical ligands to facilitate multielectron chemistry. Owing to the simplicity of the active sites, many structural and functional models have been studied. One class of pro-radical ligand that has been investigated extensively are bis-imine bis-phenoxide ligands (i.e. salen) due to their highly modular syntheses. In this thesis, projects related to the synthesis, electronic structure, and reactivity of mono and bimetallic complexes incorporating the salen framework are explored. Chapter 2 presents a systematic investigation of the effects of geometry on the electronic structure of four bis-oxidized bimetallic Ni salen species. The tunability of their intense intervalence charge transfer (IVCT) transitions in the near infrared (NIR) by nearly 400 nm due to exciton coupling in the excited states is described. For the first time, this study demonstrates the applicability of exciton coupling to ligand radical systems absorbing in the NIR region. Chapter 3 investigates the ground-state electronic structure of a bis-oxidized Co dimer. Enhanced metal participation to the singly occupied molecular orbitals results in both high spin Co(III) and Co(II)-L• character in the ground state, and no observable band splitting in the NIR due to exciton coupling. Finally, Chapter 4 describes a series of oxidized nitridomanganese(V) salen complexes with different para ring substituents (R = CF3, tBu, and NMe2), demonstrating that nitride activation is dictated by remote ligand electronics. Upon one-electron oxidation, electron deficient ligands afford a Mn(VI) species and nitride activation, whereas an electron-rich ligand results in ligand based oxidation and resistance to N coupling of the nitrides. This study highlights the alternative reactivity pathways that pro-radical ligands impose on metal complexes and represents a key step in the use of NH3 as a hydrogen storage medium. The results presented herein provide a starting point for further efforts in reactivity with the salen platform.
Book Synopsis Electronic Structure and Magnetism of Inorganic Compounds by : P Day
Download or read book Electronic Structure and Magnetism of Inorganic Compounds written by P Day and published by Royal Society of Chemistry. This book was released on 2007-10-31 with total page 290 pages. Available in PDF, EPUB and Kindle. Book excerpt: Specialist Periodical Reports provide systematic and detailed review coverage of progress in the major areas of chemical research. Written by experts in their specialist fields the series creates a unique service for the active research chemist, supplying regular critical in-depth accounts of progress in particular areas of chemistry. For over 80 years the Royal Society of Chemistry and its predecessor, the Chemical Society, have been publishing reports charting developments in chemistry, which originally took the form of Annual Reports. However, by 1967 the whole spectrum of chemistry could no longer be contained within one volume and the series Specialist Periodical Reports was born. The Annual Reports themselves still existed but were divided into two, and subsequently three, volumes covering Inorganic, Organic and Physical Chemistry. For more general coverage of the highlights in chemistry they remain a 'must'. Since that time the SPR series has altered according to the fluctuating degree of activity in various fields of chemistry. Some titles have remained unchanged, while others have altered their emphasis along with their titles; some have been combined under a new name whereas others have had to be discontinued. The current list of Specialist Periodical Reports can be seen on the inside flap of this volume.
Book Synopsis Excited-state Properties of Transition-metal Complexes in Solution and the Solid State by : Mark David Newsham
Download or read book Excited-state Properties of Transition-metal Complexes in Solution and the Solid State written by Mark David Newsham and published by . This book was released on 1988 with total page 540 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Electronic Structure and Excited State Dynamics of Chromium(III) Complexes by : Joel Nicholas Schrauben
Download or read book Electronic Structure and Excited State Dynamics of Chromium(III) Complexes written by Joel Nicholas Schrauben and published by . This book was released on 2010 with total page 734 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Electronic Charge Transfer and Dynamics in Manganese and Iron Coordination Complexes Studied with Resonant Inelastic X-ray Scattering by : Drew Alan Meyer
Download or read book Electronic Charge Transfer and Dynamics in Manganese and Iron Coordination Complexes Studied with Resonant Inelastic X-ray Scattering written by Drew Alan Meyer and published by . This book was released on 2010 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt: X-ray spectroscopy is a powerful tool in the study of electronic structure. I have utilized resonant inelastic x-ray scattering (RIXS) to study electronic charge transfer and electronic dynamics in transition metal complexes. RIXS creates a core-hole by scanning through the x-ray absorption edge while simultaneously measuring the emitted x-ray photons as the system relaxes to a lower energy core-hole state. RIXS is analogous to Resonance Raman spectroscopy but due to the properties of hard x-ray radiation, the tool is an elemental specific probe of electronic transitions. Charge transfer is a vital property of transition metal catalysts and I am able to assign RIXS spectral features to ligand-to-metal and metal-to-ligand charge transfer resonances and clearly characterize the nature of the molecular orbitals that are involved. I have also determined the effectiveness of extracting electronic dynamics from RIXS by carefully analyzing entire 1s3p RIXS data sets. The very short lifetime of the hard x-ray excited core-hole states means the RIXS process is sensitive to ultrafast electronic dynamics. The study of both charge transfer and electronic dynamics has been complimented by theoretical techniques to further the scientific understanding. The combination of RIXS measurements and density functional calculations allows the determination of the strength of the ligand-metal electronic interaction and assignment of the Raman resonances to charge transfer transitions in several manganese and iron cyanide complexes. With x-ray excitation energies resonant with the t2g and eg pre-edge peaks derived predominantly from the Mn 3d orbitals, the observation of Raman resonances in the energy transfer range from 2 to 12 eV which result from the filling of the 1s core-hole from t1u-symmetry occupied orbitals can be assigned as ligand-to-metal charge transfers. Evidence is also presented for the observation of a transition that leaves the state with increased electronic density in a ligand orbital while creating a metal hole, representing a metal-to-ligand charge transfer. The technique is then applied to K3Fe(CN)6, K4Fe(CN)6, and RbMnFe(CN)6. The two iron cyanides show similar results to those obtained with the manganese complex and the peak positions and relative intensities are discussed in relation to the electronic structure of the complexes. The manganese K-shell RIXS for RbMnFe(CN)6 shows significant deviation from the strong field metal-cyanide centers. The demonstration of the power of the technique on well characterized model systems opens the door for RIXS to be applied to more chemically relevant systems which is necessary for RIXS to develop widespread impact. I have also explored the potential for extracting excited state electron dynamics from RIXS spectra. This has involved detailed theoretical analysis of K3Mn(CN)6 and RbMnFe(CN)6 spectra. 'Core-hole clock' resonant soft x-ray studies have been utilized in the past to determine dynamic properties for a number of systems by relying on the lifetime of the excited core-hole. Due to the shortened lifetime of the hard x-ray excited core-holes, the technique is able to probe ultrafast electronic dynamics. The standard Kramer-Heisenberg description of RIXS attributes all dynamical effects to an excitation independent 1s core-hole lifetime and a final-state dependent lifetime broadening. Thorough study of the experimental data demonstrates that the standard implementation of the Kramers-Heisenberg formula cannot fully account for the experimentally observed excited state dynamics. We have proposed an alternative approach to analyzing RIXS spectra based on a density matrix formalism developed by Mukamel. The results demonstrate that while the Kramers-Heisenberg method is able to qualitatively model the spectra, it is unable to account for all aspects of the spectral dynamics within the RIXS spectrum. While the density matrix formalism is able to more accurately describe the spectral features in the RIXS, a more detailed theoretical understanding of the dynamics involved is necessary to robustly extract a dephasing time and better understand the ultrafast electronic response to core-hole creation.
Book Synopsis Polymers in Organic Electronics by : Sulaiman Khalifeh
Download or read book Polymers in Organic Electronics written by Sulaiman Khalifeh and published by Elsevier. This book was released on 2020-04-01 with total page 617 pages. Available in PDF, EPUB and Kindle. Book excerpt: Polymers in Organic Electronics: Polymer Selection for Electronic, Mechatronic, and Optoelectronic Systems provides readers with vital data, guidelines, and techniques for optimally designing organic electronic systems using novel polymers. The book classifies polymer families, types, complexes, composites, nanocomposites, compounds, and small molecules while also providing an introduction to the fundamental principles of polymers and electronics. Features information on concepts and optimized types of electronics and a classification system of electronic polymers, including piezoelectric and pyroelectric, optoelectronic, mechatronic, organic electronic complexes, and more. The book is designed to help readers select the optimized material for structuring their organic electronic system.Chapters discuss the most common properties of electronic polymers, methods of optimization, and polymeric-structured printed circuit boards. The polymeric structures of optoelectronics and photonics are covered and the book concludes with a chapter emphasizing the importance of polymeric structures for packaging of electronic devices. Provides key identifying details on a range of polymers, micro-polymers, nano-polymers, resins, hydrocarbons, and oligomers Covers the most common electrical, electronic, and optical properties of electronic polymers Describes the underlying theories on the mechanics of polymer conductivity Discusses polymeric structured printed circuit boards, including their rapid prototyping and optimizing their polymeric structures Shows optimization methods for both polymeric structures of organic active electronic components and organic passive electronic components
Book Synopsis Inorganic and Bio-Inorganic Chemistry - Volume II by : Ivano Bertini
Download or read book Inorganic and Bio-Inorganic Chemistry - Volume II written by Ivano Bertini and published by EOLSS Publications. This book was released on 2009-02-10 with total page 502 pages. Available in PDF, EPUB and Kindle. Book excerpt: Inorganic and Bio-Inorganic Chemistry is the component of Encyclopedia of Chemical Sciences, Engineering and Technology Resources in the global Encyclopedia of Life Support Systems (EOLSS), which is an integrated compendium of twenty one Encyclopedias. The Theme on Inorganic and Bio-Inorganic Chemistry in the Encyclopedia of Chemical Sciences, Engineering and Technology Resources deals with the discipline which studies the chemistry of the elements of the periodic table. It covers the following topics: From simple to complex compounds; Chemistry of metals; Inorganic synthesis; Radicals reactions with metal complexes in aqueous solutions; Magnetic and optical properties; Inorganometallic chemistry; High temperature materials and solid state chemistry; Inorganic biochemistry; Inorganic reaction mechanisms;Homogeneous and heterogeneous catalysis; Cluster and polynuclear compounds; Structure and bonding in inorganic chemistry; Synthesis and spectroscopy of transition metal complexes; Nanosystems;Computational inorganic chemistry; Energy and inorganic chemistry. These two volumes are aimed at the following five major target audiences: University and College students Educators, Professional practitioners, Research personnel and Policy analysts, managers, and decision makers and NGOs
Book Synopsis Extended Linear Chain Compounds by : Joel S. Miller
Download or read book Extended Linear Chain Compounds written by Joel S. Miller and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 569 pages. Available in PDF, EPUB and Kindle. Book excerpt: Linear chain substances span a large cross section of contemporary chemis try ranging from covalent polymers, organic charge transfer complexes to nonstoichiometric transition metal coordination complexes. Their common ality, which coalesced intense interest in the theoretical and experimental solid-state-physics/chemistry communities, was based on the observation that these inorganic and organic polymeric substrates exhibit striking metal-like electrical and optical properties. Exploitation and extension of these systems has led to the systematic study of both the chemistry and physics of highly and poorly conducting linear chain substances. To gain a salient understanding of these complex materials rich in anomalous anisotropic electrical, optical, magnetic, and mechanical properties, the convergence of diverse skills and talents was required. The constructive blending of traditionally segregated disciplines such as synthetic and physical organic, inorganic, and polymer chemistry, crystallography, and theoretical and experimental solid state physics has led to the timely devel opment of a truly interdisciplinary science. This is evidenced in the contri butions of this monograph series. Within the theme of Extended Linear Chain Compounds, experts in important, but varied, facets of the discipline have reflected upon the progress that has been made and have cogently summarized their field of specialty. Consequently, up-to-date reviews of numerous and varied aspects of "extended linear chain compounds" has developed. Within these volumes, numerous incisive contributions covering all aspects of the diverse linear chain substances have been summarized. I am confident that assimilation of the state-of-the-art and clairvoy ance will be rewarded with extraordinary developments in the near future.
Book Synopsis Recent Advances in the Theory of Chemical and Physical Systems by : Jean-Pierre Julien
Download or read book Recent Advances in the Theory of Chemical and Physical Systems written by Jean-Pierre Julien and published by Springer Science & Business Media. This book was released on 2006-05-05 with total page 586 pages. Available in PDF, EPUB and Kindle. Book excerpt: Advances in the Theory of Chemical and Physical Systems is a collection of 26 selected papers from the scientific presentations made at the 9th European Workshop on Quantum Systems in Chemistry and Physics (QSCP-IX) held at Les Houches, France, in September 2004. This volume encompasses a spectrum of developing topics in which scientists place special emphasis on theoretical methods in the study of chemical and physical properties of various systems: Quantum Chemical Methods (including CC and DFT for excited states) Relativistic and Heavy-Element Systems (including radiative and nuclear effects)Complexes and Clusters (including metal complexes and clusters) Complex Systems (including quasicrystals, nanotubes and proteins).
Download or read book Solar Energy Update written by and published by . This book was released on 1986 with total page 650 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Conversion of Water and CO2 to Fuels using Solar Energy by : Oomman K. Varghese
Download or read book Conversion of Water and CO2 to Fuels using Solar Energy written by Oomman K. Varghese and published by John Wiley & Sons. This book was released on 2024-02-28 with total page 421 pages. Available in PDF, EPUB and Kindle. Book excerpt: Conversion of Water and CO2 to Fuels usingSolar Energy Comprehensive Resource for Understanding the Emerging Solar Technologies for Hydrogen Generation via Water Splitting and Carbon-based Fuel Production via CO2 Recycling Fossil fuel burning is the primary source of carbon in the atmosphere. The realization that such burning can harm the life on our planet, has led to a surge in research activities that focus on the development of alternative strategies for energy conversion. Fuel generation using solar energy is one of the most promising approaches that has received widespread attention. The fuels produced using sunlight are commonly referred to as “solar fuels.” This book provides researchers interested in solar fuel generation a comprehensive understanding of the emerging solar technologies for hydrogen generation via water splitting and carbon-based fuel production via CO2 recycling. The book presents the fundamental science, technologies, techno-economic analysis, and most importantly, the materials that are being explored to establish artificial methods of fuel production using solar energy. For the rapid advancement of the field, it is necessary for researchers, particularly for those who are new to the field, to have clear knowledge of various materials studied so far and their performance. For this reason, almost half of the book is dedicated to the discussions on materials and properties. Key topics discussed in the book include: Photocatalytic/photoelectrochemical processes that use semiconductor photocatalysts, including both ceramic and non-ceramic materials Photovoltaic assisted electrochemical processes Solar thermochemical processes Molecular photosynthesis Researchers and professionals in the fields of energy and materials and closely related science and engineering disciplines could use this book to aquire clear insights on both mainstream solar fuel technologies and those in the developmental stages.
Download or read book Spectroscopy written by B. Straughan and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 334 pages. Available in PDF, EPUB and Kindle. Book excerpt: It is fifteen years since Walker and Straw wrote the first edition of 'Spectroscopy' and considerable developments have taken place during that time in all fields of this expanding subject. In atomic spectroscopy, for example, where the principles required in a student text have been laid down for many years, there have been advances in optical pumping and double resonance which cannot be neglected at undergraduate level. In addition, nuclear quadrupole resonance (n.q.f.) and far infrared spectroscopy now merit separate chapters while addtional chapters dealing with Mbssbauer spectroscopy, photoelectron spectroscopy and group theory are an essential requisite for any modern spectroscopy textbook. When the idea for a new edition of Spectroscopy was first discussed it quickly became clear that the task of revision would be an impossible one for two authors working alone. Consequently it was decided that the new edition be planned and co-ordinated by two editors who were to invite specialists, each of whom had experience of presenting their subject at an undergraduate level, to contribute a new chapter or to revise extensively an existing chapter. In this manner a proper perspective of each topic has been provided without any sacri fice of the essential character and unity of the first edition. The expansion of subject matter has necessitated the division of the complete work into three self contained volumes. Volume I includes atomic, n.m.f., n.q.f., e.s.r. and Mbssbauer spectroscopy.
Book Synopsis Springer Handbook of Inorganic Photochemistry by : Detlef Bahnemann
Download or read book Springer Handbook of Inorganic Photochemistry written by Detlef Bahnemann and published by Springer Nature. This book was released on 2022-06-25 with total page 1914 pages. Available in PDF, EPUB and Kindle. Book excerpt: The handbook comprehensively covers the field of inorganic photochemistry from the fundamentals to the main applications. The first section of the book describes the historical development of inorganic photochemistry, along with the fundamentals related to this multidisciplinary scientific field. The main experimental techniques employed in state-of-art studies are described in detail in the second section followed by a third section including theoretical investigations in the field. In the next three sections, the photophysical and photochemical properties of coordination compounds, supramolecular systems and inorganic semiconductors are summarized by experts on these materials. Finally, the application of photoactive inorganic compounds in key sectors of our society is highlighted. The sections cover applications in bioimaging and sensing, drug delivery and cancer therapy, solar energy conversion to electricity and fuels, organic synthesis, environmental remediation and optoelectronics among others. The chapters provide a concise overview of the main achievements in the recent years and highlight the challenges for future research. This handbook offers a unique compilation for practitioners of inorganic photochemistry in both industry and academia.
Book Synopsis Electronic Structure and Magnetism of Inorganic Compounds by : Peter Day
Download or read book Electronic Structure and Magnetism of Inorganic Compounds written by Peter Day and published by Royal Society of Chemistry. This book was released on 1980 with total page 326 pages. Available in PDF, EPUB and Kindle. Book excerpt: This product is not available separately, it is only sold as part of a set. There are 750 products in the set and these are all sold as one entity. Specialist Periodical Reports provide systematic and detailed review coverage of progress in the major areas of chemical research. Written by experts in their specialist fields the series creates a unique service for the active research chemist, supplying regular critical in-depth accounts of progress in particular areas of chemistry. For over 80 years the Royal Society of Chemistry and its predecessor, the Chemical Society, have been publishing reports charting developments in chemistry, which originally took the form of Annual Reports. However, by 1967 the whole spectrum of chemistry could no longer be contained within one volume and the series Specialist Periodical Reports was born. The Annual Reports themselves still existed but were divided into two, and subsequently three, volumes covering Inorganic, Organic and Physical Chemistry. For more general coverage of the highlights in chemistry they remain a 'must'. Since that time the SPR series has altered according to the fluctuating degree of activity in various fields of chemistry. Some titles have remained unchanged, while others have altered their emphasis along with their titles; some have been combined under a new name whereas others have had to be discontinued. The current list of Specialist Periodical Reports can be seen on the inside flap of this volume.
