Author: Publisher:
ISBN:
Category :
Languages : en
Pages :
Book Description
Theoretical Studies on the Electronic Properties and the Chemical Bonding of Transition Metal Complexes Using Dft and Ligand Field Theory
Author: A Theoretical Study of the Electronic Structure of Transition-metal Complexes
Author: James W. RichardsonPublisher:
ISBN:
Category : Atoms
Languages : en
Pages : 128
Book Description
Electronic Structure and Properties of Transition Metal Compounds
Author: Isaac B. BersukerPublisher: John Wiley & Sons
ISBN: 0470920858
Category : Science
Languages : en
Pages : 658
Book Description
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.
Metal–Ligand Bonding
Author: E A MoorePublisher: Royal Society of Chemistry
ISBN: 1788018281
Category : Science
Languages : en
Pages : 116
Book Description
To appreciate the chemistry and physical properties of complexes of the transition series, an understanding of metal-ligand interactions applied to complexes of the d-block is needed. Metal Ligand Bonding aims to provide this through an accessible, detailed, non-mathematical approach. Initial chapters detail the crystal-field model, using it to describe the use of magnetic measurements to distinguish complexes with different electronic configurations and geometries. Subsequent chapters look at the molecular orbital theory of transition metal complexes using a pictorial approach. Bonding in octahedral complexes is explored and electronic spectra and magnetic properties are given extensive coverage. The material addressed in this book forms the foundation of undergraduate lecture courses on d-block chemistry and facilitates learning through various key features, including: full colour diagrams; in-text questions with answers; revision exercises and clearly defined learning outcomes to encourage a reflective approach to study; an associated website; and experimental data and observations from everyday life. A basic knowledge of atomic and molecular orbitals as applied to main group elements is assumed.
An Introduction to Transition-metal Chemistry: Ligand-field Theory
Author: Leslie E. OrgelPublisher:
ISBN:
Category : Chemistry, Physical and theoretical
Languages : en
Pages : 184
Book Description
Electronic and Vibronic Spectra of Transition Metal Complexes II
Author: Hartmut YersinPublisher: Springer Science & Business Media
ISBN: 9783540629221
Category : Science
Languages : en
Pages : 276
Book Description
The unique properties and applications of transition metal compounds have long fascinated both physicists and chemists. This volume presents theoretical and experimental studies for a deeper understanding of the electronic and vibronic properties of these compounds. In particular, an introduction into properties of spin sublevels of dd*, dÂ*, and ÂÂ* states is given, and a modern ligand field theory based on the Angular Overlap Model is presented. In experimental case studies it is shown how to characterize different types of electronic transitions using modern methods of laser spectroscopy. Consequences of spin-orbit coupling, zero-field splittings, spin-lattice relaxations, chromophore-matrix interactions, Herzberg-Teller/Franck-Condon activities, and localization/delocalization properties are treated.
Theoretical Studies of the Electronic Properties of Transition Metals and Transition Metal Compounds
Author: Joseph Francis AlwardPublisher:
ISBN:
Category :
Languages : en
Pages : 260
Book Description
Transition Metals in Coordination Environments
Author: Ewa BroclawikPublisher: Springer
ISBN: 3030117146
Category : Science
Languages : en
Pages : 540
Book Description
This book focuses on the electronic properties of transition metals in coordination environments. These properties are responsible for the unique and intricate activity of transition metal sites in bio- and inorganic catalysis, but also pose challenges for both theoretical and experimental studies. Written by an international group of recognized experts, the book reviews recent advances in computational modeling and discusses their interplay using experiments. It covers a broad range of topics, including advanced computational methods for transition metal systems; spectroscopic, electrochemical and catalytic properties of transition metals in coordination environments; metalloenzymes and biomimetic compounds; and spin-related phenomena. As such, the book offers an invaluable resource for all researchers and postgraduate students interested in both fundamental and application-oriented research in the field of transition metal systems.
Molecular Electronic Structures of Transition Metal Complexes II
Author: David Michael P. MingosPublisher: Springer Science & Business Media
ISBN: 3642273785
Category : Science
Languages : en
Pages : 247
Book Description
T. Ziegler: A Chronicle About the Development of Electronic Structure Theories for Transition Metal Complexes.- J. Linderberg: Orbital Models and Electronic Structure Theory.- J.S. and J.E. Avery: Sturmians and Generalized Sturmians in Quantum Theory.- B.T Sutcliffe: Chemistry as a “Manifestation of Quantum Phenomena” and the Born–Oppenheimer Approximation?- A.J. McCaffery: From Ligand Field Theory to Molecular Collision Dynamics: A Common Thread of Angular Momentum.- M. Atanasov, D. Ganyushin, K. Sivalingam and F. Neese: A Modern First-Principles View on Ligand Field Theory Through the Eyes of Correlated Multireference Wavefunctions.- R.S. Berry and B.M. Smirnov: The Phase Rule: Beyond Myopia to Understanding.
Metal-Ligand Interactions
Author: N. RussoPublisher: Springer Science & Business Media
ISBN: 9400901550
Category : Science
Languages : en
Pages : 557
Book Description
Metal-Ligand Interactions - Structure and Reactivity emphasizes the experimental determination of structure and dynamics, supported by the theoretical and computational approaches needed to establish the concepts and guide the experiments. Leading experts present masterly surveys of: clusters, inorganic complexes, surfaces, catalysis, ab initio theory, density functional theory,semiempirical methods, and dynamics. Besides the presentations of the fields of study themselves, the papers also bring out those aspects that impinge on, or could benefit from, progress in other disciplines. Refined in the fire of an interactive and stimulating conference, the papers presented here represent the state of the art of current research.