High- and Low-Valent tris-N-Heterocyclic Carbene Iron Complexes [electronic resource] : A Study of Molecular and Electronic Structure /
Vogel, Carola S.author.
Carola Vogel’s PhD thesis focuses on the synthesis, and structural and spectroscopic characterization of the first high valent iron nitride complexes. In her interdisciplinary and collaborative research Carola also describes the reactivity studies of a unique iron (V) nitride complex with water. These studies show that quantitative yields of ammonia are given at ambient conditions. High valent iron nitride and oxo species have been proposed as key intermediates in many bio-catalytic transformations, but until now these species have proven exceedingly challenging to isolate and study. Iron complexes in high oxidation states can thus serve as models for iron-containing enzymes to help us understand biological systems or aid our development of more efficient industrial catalysts.
High- and Low-Valenttris-N-Heterocyclic CarbeneIron Complexes; Supervisor's Foreword; Acknowledgments; Contents; Symbols and Abbreviations; 1 Introduction to Tripodal N-Heterocyclic Carbene Iron Complexes; 1.1...Carbenes; 1.2...History of N-Heterocyclic Carbenes (NHC) and Their Application; 1.3...NHC Ligands for the Stabilization of Low and High Oxidation State Transition Metals; 1.4...Types of Tripodal Ligand Environments; 1.4.1 Overview of Tripodal Ligands; 1.4.2 Tripodal N-Heterocyclic Carbene Ligands; 1.5...High-Valent Iron Species: Intermediates in Enzymatic Reactions and the Haber--Bosch Process
1.6...Objectives1.7...Summary and Acknowledgements; References; 2 TIMENmes: An Iron Nitride Complex; 2.1...Introduction; 2.2...Results and Discussion; 2.2.1 General Synthetic Procedure for the Precursors of the TIMENR System; 2.2.2 The TIMENmes Ligand and its Coordination to Iron: Synthesis Towards an Elusive Iron Nitride Complex; 2.3...Conclusion; 2.4...Experimental; 2.4.1 Methods, Procedures, and Starting Materials; 2.4.2 Computational Details; 2.4.3 Synthetic Details; 2.4.4 X-ray Crystal Structure Determination Details; Acknowledgement; References
3 TIMENtol/3,5xyl: Unexpected Reactivity Resulting From Modifications of the Ligand Periphery3.1...Introduction; 3.2...Results and Discussion; 3.3...Theoretical Considerations; 3.4...Conclusion; 3.5...Experimental; 3.5.1 Methods, Procedures, and Starting Materials; 3.5.2 Computational Details; 3.5.3 Synthetic Details; 3.5.4 X-ray Crystal Structure Determination Details; Acknowledgments; References; 4 TIMEN3,5CF3: Hybrid System Capable of Cyclometallation and Nitride Insertion; 4.1...Introduction; 4.2...Results and Discussion; 4.3...Conclusion; 4.4...Experimental
4.4.1 Methods, Procedures, and Starting Materials4.4.2 Synthetic Details; 4.4.3 X-ray Crystal Structure Determination Details; References; 5 PhB(tBuIm)3minus: Synthesis, Structure, and Reactivity of an Iron(V) Nitride; 5.1...Introduction; 5.2...Results and Discussion; 5.3...Conclusion; 5.4...Experimental; 5.4.1 Methods, Procedures, and Starting Materials; 5.4.2 Computational Details; 5.4.3 Synthetic Details; 5.4.4 X-ray Crystal Structure Determination Details; Acknowledgments; References; 6 PhB(MesIm)3minus: Spin Crossover in a Four-Coordinate Iron(II) Complex; 6.1...Introduction
6.2...Results and Discussion6.3...Conclusion; 6.4...Experimental; 6.4.1 Methods, Procedures, and Starting Materials; 6.4.2 Synthetic Details; 6.4.3 Magnetic Susceptibility Measurements; 6.4.4 Computational Details; 6.4.5 X-ray Crystal Structure Determination Details; Acknowledgments; References
Thesis (Ph. D.)-- Friedrich-Alexander-University.
"Doctoral thesis accepted by The Friedrich-Alexander-University, Erlangen-Nuremberg, Germany."
Includes bibliographical references.
Carola Vogel’s PhD thesis focuses on the synthesis, and structural and spectroscopic characterization of the first high valent iron nitride complexes. In her interdisciplinary and collaborative research Carola also describes the reactivity studies of a unique iron (V) nitride complex with water. These studies show that quantitative yields of ammonia are given at ambient conditions. High valent iron nitride and oxo species have been proposed as key intermediates in many bio-catalytic transformations, but until now these species have proven exceedingly challenging to isolate and study. Iron complexes in high oxidation states can thus serve as models for iron-containing enzymes to help us understand biological systems or aid our development of more efficient industrial catalysts.
Inorganic chemistry.
Catalysis.
Enzymology.
Inorganic Chemistry.
Catalysis.
Enzymology.

Springer Theses