Mechanistic snapshots of rhodium-catalyzed acylnitrene transfer reactions

Iron- and Ruthenium-Catalyzed C–N Bond Formation Reactions. Reactive Metal Imido/Nitrene Intermediates

(2023) Yungen Liu et al.   ACS Catalysis

Palladium Terminal Imido Complexes with Nitrene Character

(2022) Annette Grünwald et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Transition Metal-Catalyzed Regioselective Direct C–H Amidation: Interplay between Inner- and Outer-Sphere Pathways for Nitrene Cross-Coupling Reactions

(2022) Bingnan Du et al.   ACCOUNTS OF CHEMICAL RESEARCH

Mechanism-Guided Development of Transition-Metal-Catalyzed C–N Bond-Forming Reactions Using Dioxazolones as the Versatile Amidating Source

(2021) Seung Youn Hong et al.   ACCOUNTS OF CHEMICAL RESEARCH

Synthesis, Electronic Structure, and Reactivity of a Planar Four‐Coordinate, Cobalt‐Imido Complex

(2021) Paul James Chirik et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Capturing the Complete Reaction Profile of a C–H Bond Activation

(2021) David Gygi et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Nitrene-mediated intermolecular N–N coupling for efficient synthesis of hydrazides

(2021) Hao Wang et al.   Nature Chemistry

A Deep Insight into Polybenzoxazole Formation in the Heterocycle-containing Polybenzoxazine: An Enlightening Thought for Smarter Precursor Design

(2021) Jingkai Liu et al.   POLYMER

Terminal Imido Complexes of the Groups 9–11: Electronic Structure and Developments in the Last Decade

(2021) Annette Grünwald et al.   EUROPEAN JOURNAL OF INORGANIC CHEMISTRY

Nitrene transfer catalysts for enantioselective C–N bond formation

(2021) Minsoo Ju et al.   Nature Reviews Chemistry

Nitrogen Atom Transfer Catalysis by Metallonitrene C−H Insertion: Photocatalytic Amidation of Aldehydes

(2021) Till Schmidt‐Räntsch et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

C–H Amination Mediated by Cobalt Organoazide Adducts and the Cor-responding Cobalt Nitrenoid Intermediates

(2020) Yunjung Baek et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Dioxazolones: Stable Substrates for the Catalytic Transfer of Acyl Nitrenes

(2020) Kaj M. van Vliet et al.   ACS Catalysis

The ORCA quantum chemistry program package

(2020) Frank Neese et al.   JOURNAL OF CHEMICAL PHYSICS

Modular Tuning of Electrophilic Reactivity of Iridium Nitrenoids for the Intermolecular Selective α-Amidation of β-Keto Esters

(2020) Minhan Lee et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

LED‐NMR Monitoring of an Enantioselective Catalytic [2+2] Photocycloaddition

(2020) Kazimer L. Skubi et al.   ChemPhotoChem

A platinum(ii) metallonitrene with a triplet ground state

(2020) Jian Sun et al.   Nature Chemistry

UCSF ChimeraX : Structure visualization for researchers, educators, and developers

(2020) Eric F. Pettersen et al.   PROTEIN SCIENCE

Enantioselective Intermolecular Radical C–H Amination

(2020) Li-Mei Jin et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Ruthenium(II)-Catalyzed Enantioselective γ-Lactams Formation by Intramolecular C–H Amidation of 1,4,2-Dioxazol-5-ones

(2019) Qi Xing et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Iridium-Catalyzed Enantioselective C(sp3)–H Amidation Controlled by Attractive Noncovalent Interactions

(2019) Hao Wang et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Stereodefined Access to Lactams via Olefin Difunctionalization: Iridium Nitrenoids as a Motif of LUMO-Controlled Dipoles

(2019) Seung Youn Hong et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Efficient Copper-Catalyzed Multicomponent Synthesis of N-Acyl Amidines via Acyl Nitrenes

(2019) Kaj M. van Vliet et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Synthesis of a copper-supported triplet nitrene complex pertinent to copper-catalyzed amination

(2019) Kurtis M. Carsch et al.   SCIENCE

Characterization of a Reactive Rh2 Nitrenoid by Crystalline Matrix Isolation

(2019) Anuvab Das et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Non-C2-Symmetric Chiral-at-Ruthenium Catalyst for Highly Efficient Enantioselective Intramolecular C(sp3)–H Amidation

(2019) Zijun Zhou et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

CuH-Catalyzed Asymmetric Hydroamidation of Vinylarenes

(2018) Yujing Zhou et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Manganese-catalysed benzylic C(sp3)–H amination for late-stage functionalization

(2018) Joseph R. Clark et al.   Nature Chemistry

Preparation of chiral-at-metal catalysts and their use in asymmetric photoredox chemistry

(2018) Jiajia Ma et al.   Nature Protocols

Selective formation of γ-lactams via C–H amidation enabled by tailored iridium catalysts

(2018) Seung Youn Hong et al.   SCIENCE

Observation of a Photogenerated Rh2 Nitrenoid Intermediate in C–H Amination

(2018) Anuvab Das et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Pitfalls in Computational Modeling of Chemical Reactions and How To Avoid Them

(2018) Ho Ryu et al.   ORGANOMETALLICS

An Isolable Terminal Imido Complex of Palladium and Catalytic Implications

(2018) Annette Grünwald et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Molden 2.0: quantum chemistry meets proteins

(2017) Gijs Schaftenaar et al.   JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN

Construction of Tertiary Amides: NiII -Catalyzed N -Arylation of Secondary Acyclic Amides (2-Picolinamides) with Aryl Halides

(2017) Rathinam Sankar et al.   Asian Journal of Organic Chemistry

Rh2(II,III) Catalysts with Chelating Carboxylate and Carboxamidate Supports: Electronic Structure and Nitrene Transfer Reactivity

(2016) Adrián Varela-Álvarez et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Why is the Ir(III)-Mediated Amido Transfer Much Faster Than the Rh(III)-Mediated Reaction? A Combined Experimental and Computational Study

(2016) Yoonsu Park et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Structures of Reactive Donor/Acceptor and Donor/Donor Rhodium Carbenes in the Solid State and Their Implications for Catalysis

(2016) Christophe Werlé et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

BL2D-SMC, the supramolecular crystallography beamline at the Pohang Light Source II, Korea

(2016) Jong Won Shin et al.   JOURNAL OF SYNCHROTRON RADIATION

The First Crystal Structure of a Reactive Dirhodium Carbene Complex and a Versatile Method for the Preparation of Gold Carbenes by Rhodium-to-Gold Transmetalation

(2015) Christophe Werlé et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Rhodium(III)-Catalyzed Amidation of Unactivated C(sp3)H Bonds

(2015) He Wang et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Synthesis of 8-Aminoquinolines by Using Carbamate Reagents: Facile Installation and Deprotection of Practical Amidating Groups

(2015) Donghyeon Gwon et al.   CHEMISTRY-A EUROPEAN JOURNAL

An Experimental and Computational Approach to Understanding the Reactions of Acyl Nitroso Compounds in [4 + 2] Cycloadditions

(2015) Duangduan Chaiyaveij et al.   JOURNAL OF ORGANIC CHEMISTRY

Characterization of Porphyrin-Co(III)-‘Nitrene Radical’ Species Relevant in Catalytic Nitrene Transfer Reactions

(2015) Monalisa Goswami et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Mechanistic Studies on the Rh(III)-Mediated Amido Transfer Process Leading to Robust C–H Amination with a New Type of Amidating Reagent

(2015) Yoonsu Park et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Crystal structure refinement withSHELXL

(2015) George M. Sheldrick   Acta Crystallographica Section C-Structural Chemistry

Light-Induced Ruthenium-Catalyzed Nitrene Transfer Reactions: A Photochemical Approach towards N-Acyl Sulfimides and Sulfoximines

(2014) Vincent Bizet et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Terminal Imido Rhodium Complexes

(2014) Ana M. Geer et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Analysis of the Structural Diversity, Substitution Patterns, and Frequency of Nitrogen Heterocycles among U.S. FDA Approved Pharmaceuticals

(2014) Edon Vitaku et al.   JOURNAL OF MEDICINAL CHEMISTRY

Photocrystallographic Observation of Halide-Bridged Intermediates in Halogen Photoeliminations

(2014) David C. Powers et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Advances in molecular quantum chemistry contained in the Q-Chem 4 program package

(2014) Yihan Shao et al.   MOLECULAR PHYSICS

Lanthanum(III) Triflate Catalyzed Direct Amidation of Esters

(2014) Hiroyuki Morimoto et al.   ORGANIC LETTERS

Copper-Catalyzed Carboxamide-Directed Ortho Amination of Anilines with Alkylamines at Room Temperature

(2014) Qiong Li et al.   ORGANIC LETTERS

Jaguar: A high-performance quantum chemistry software program with strengths in life and materials sciences

(2013) Art D. Bochevarov et al.   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

LED based NMR illumination device for mechanistic studies on photochemical reactions – Versatile and simple, yet surprisingly powerful

(2013) C. Feldmeier et al.   JOURNAL OF MAGNETIC RESONANCE

Scope and Limitations of Auxiliary-Assisted, Palladium-Catalyzed Arylation and Alkylation of sp2 and sp3 C–H Bonds

(2013) Enrico T. Nadres et al.   JOURNAL OF ORGANIC CHEMISTRY

Ir(III)-Catalyzed Mild C–H Amidation of Arenes and Alkenes: An Efficient Usage of Acyl Azides as the Nitrogen Source

(2013) Jaeyune Ryu et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Direct Spectroscopic Characterization of a Transitory Dirhodium Donor-Acceptor Carbene Complex

(2013) K. P. Kornecki et al.   SCIENCE

Metal-Catalyzed Nitrogen-Atom Transfer Methods for the Oxidation of Aliphatic C–H Bonds

(2012) Jennifer L. Roizen et al.   ACCOUNTS OF CHEMICAL RESEARCH

The calculations of excited-state properties with Time-Dependent Density Functional Theory

(2012) Carlo Adamo et al.   CHEMICAL SOCIETY REVIEWS

Co(III) Imidos Exhibiting Spin Crossover and C–H Bond Activation

(2012) Evan R. King et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Pd-Catalyzed Arylation/Oxidation of Benzylic C–H Bond

(2012) Yongju Xie et al.   ORGANIC LETTERS

Capturing fleeting intermediates in a catalytic C-H amination reaction cycle

(2012) R. H. Perry et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

How to select active space for multiconfigurational quantum chemistry?

(2011) Valera Veryazov et al.   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

ShelXle: a Qt graphical user interface forSHELXL

(2011) Christian B. Hübschle et al.   JOURNAL OF APPLIED CRYSTALLOGRAPHY

A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu

(2010) Stefan Grimme et al.   JOURNAL OF CHEMICAL PHYSICS

TERMINAL NITRIDO AND IMIDO COMPLEXES OF THE LATE TRANSITION METALS

(2009) John F. Berry   COMMENTS ON INORGANIC CHEMISTRY

Catalytic C–H functionalization by metal carbenoid and nitrenoid insertion

(2008) Huw M. L. Davies et al.   NATURE