The Electronic Ground State of [Fe(CO)3(NO)]−: A Spectroscopic and Theoretical Study

Carbonylation of alkyl halides with [Fe(CO)3(NO)]−: in silico identification of a common intermediate

(2013) Johannes E. M. N. Klein et al.   DALTON TRANSACTIONS

Redox-Active Triazolium-Derived Ligands in Nucleophilic Fe-Catalysis - Reactivity Profile and Development of a RegioselectiveO-Allylation

(2013) Johannes E. M. N. Klein et al.   EUROPEAN JOURNAL OF ORGANIC CHEMISTRY

The Fe-Catalysed Phosphono-Allylation of Activated Olefins

(2013) Susanne Rommel et al.   EUROPEAN JOURNAL OF ORGANIC CHEMISTRY

Electronic structure analysis of multistate reactivity in transition metal catalyzed reactions: the case of C–H bond activation by non-heme iron(iv)–oxo cores

(2013) Shengfa Ye et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Catalytic Activation of Diazo Compounds Using Electron-Rich, Defined Iron Complexes for Carbene-Transfer Reactions

(2012) Michael S. Holzwarth et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Dual Catalysis: Vinyl Sulfones through Tandem Iron-Catalyzed Allylic Sulfonation Amine-Catalyzed Isomerization

(2012) Markus Jegelka et al.   ChemCatChem

Fe-Catalyzed Multicomponent Reactions: The Regioselective Alkoxy Allylation of Activated Olefins and its Application in Sequential Fe Catalysis

(2012) André P. Dieskau et al.   CHEMISTRY-A EUROPEAN JOURNAL

Fe-Catalyzed Allylic C–C-Bond Activation: Vinylcyclopropanes As Versatile a1,a3,d5-Synthons in Traceless Allylic Substitutions and [3 + 2]-Cycloadditions

(2012) André P. Dieskau et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Binuclear Fe-complexes as catalysts for the ligand-free regioselective allylic sulfenylation

(2011) Michael S. Holzwarth et al.   CHEMICAL COMMUNICATIONS

α-Sulfonyl Succinimides: Versatile Sulfinate Donors in Fe-Catalyzed, Salt-Free, Neutral Allylic Substitution

(2011) Markus Jegelka et al.   CHEMISTRY-A EUROPEAN JOURNAL

Fe-Catalyzed Thioesterification of Carboxylic Esters

(2011) Silja Magens et al.   CHEMISTRY-A EUROPEAN JOURNAL

Bu4N[Fe(CO)3(NO)]-Catalyzed Hydrosilylation of Aldehydes and Ketones

(2011) André P. Dieskau et al.   EUROPEAN JOURNAL OF ORGANIC CHEMISTRY

Modeling Structures and Vibrational Frequencies for Dinitrosyl Iron Complexes (DNICs) with Density Functional Theory

(2011) Scott M. Brothers et al.   INORGANIC CHEMISTRY

A Step beyond the Feltham–Enemark Notation: Spectroscopic and Correlatedab InitioComputational Support for an Antiferromagnetically Coupled M(II)–(NO)−Description of Tp*M(NO) (M = Co, Ni)

(2011) Neil C. Tomson et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Molpro: a general-purpose quantum chemistry program package

(2011) Hans-Joachim Werner et al.   Wiley Interdisciplinary Reviews-Computational Molecular Science

The ORCA program system

(2011) Frank Neese   Wiley Interdisciplinary Reviews-Computational Molecular Science

Non-innocent ligands in bioinorganic chemistry—An overview

(2010) Wolfgang Kaim et al.   COORDINATION CHEMISTRY REVIEWS

Gabedit-A graphical user interface for computational chemistry softwares

(2010) Abdul-Rahman Allouche   JOURNAL OF COMPUTATIONAL CHEMISTRY

Nucleophilic Iron Catalysis in Transesterifications: Scope and Limitations

(2010) Silja Magens et al.   JOURNAL OF ORGANIC CHEMISTRY

Electronic Structure of Selected {FeNO}7Complexes in Heme and Non-Heme Architectures: A Density Functional and Multireference ab Initio Study

(2010) Mariusz Radoń et al.   JOURNAL OF PHYSICAL CHEMISTRY B

The Unusual Electronic Structure of Dinitrosyl Iron Complexes

(2010) Shengfa Ye et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Preformed π-Allyl Iron Complexes as Potent, Well-Defined Catalysts for the Allylic Substitution

(2009) Michael Holzwarth et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Selective C−S Bond Formation via Fe-Catalyzed Allylic Substitution

(2009) Markus Jegelka et al.   ORGANIC LETTERS

The Reincarnation of the Hieber Anion [Fe(CO)3(NO)]-- a New Venue in Nucleophilic Metal Catalysis

(2008) Bernd Plietker et al.   EUROPEAN JOURNAL OF ORGANIC CHEMISTRY

Calibration of Modern Density Functional Theory Methods for the Prediction of57Fe Mössbauer Isomer Shifts: Meta-GGA and Double-Hybrid Functionals

(2008) Michael Römelt et al.   INORGANIC CHEMISTRY

Ligand-Dependent Mechanistic Dichotomy in Iron-Catalyzed Allylic Substitutions: σ-Allyl versus π-Allyl Mechanism

(2007) Bernd Plietker et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

A Nucleophilic Fe Catalyst for Transesterifications under Neutral Conditions

(2007) Silja Magens et al.   ORGANIC LETTERS