Transition Metals in Coordination Environments

Beschreibung

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. 
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. 
Reviews modern quantum chemical approaches to difficult cases involving transition metal systems Helps readers to select suitable tools for computational modeling Provides a broad perspective on the interplay between electronic structure and chemical and physical properties of transition metal systems, and on the application of these systems in catalysis Covers state-of-the-art methodologies and recent applications Discusses synergies between, as well as strengths and weaknesses of, computational modeling and experimental techniques

Autor*in

Ewa Broclawik

Themen in »Transition Metals in Coordination Environments«

Transition metals complexes Transition metal catalysis Transition metals computational chemistry Transition metals coordination environments Transition metal catalysts Transition metals spectroscopy Transition metal clusters Transition metals Metalloenzymes Actinides Electrochemistry of coordination compounds Transition metals quantum chemistry Biomimetic complexes Transition metals DFT Density functional theory transition metals

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