Observability of paramagnetic NMR signals at over 10 000 ppm chemical shifts

A Quantum Chemistry View on Two Archetypical Paramagnetic Pentacoordinate Nickel(II) Complexes Offers a Fresh Look on Their NMR Spectra

(2021) Enrico Ravera et al.   INORGANIC CHEMISTRY

A high‐resolution view of the coordination environment in a paramagnetic metalloprotein from its magnetic properties

(2021) Enrico Ravera et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Metalloradical Reactivity, Charge Transfer, and Atom Abstractions in a T-Shaped Iron(I) Complex

(2021) Jonas C. Ott et al.   INORGANIC CHEMISTRY

Experimental and Theoretical Evidence for an Unusual Almost Triply Degenerate Electronic Ground State of Ferrous Tetraphenylporphyrin

(2021) Maxime Tarrago et al.   INORGANIC CHEMISTRY

NMR for Single Ion Magnets

(2021) Lucia Gigli et al.   Magnetochemistry

Advanced Paramagnetic Resonance Studies on Manganese and Iron Corroles with a Formal d4 Electron Count

(2020) J. Krzystek et al.   INORGANIC CHEMISTRY

Opening up the Valence Shell: A T‐Shaped Iron(I) Metalloradical and Its Potential for Atom Abstraction

(2020) Jonas C. Ott et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

A Paramagnetic NMR Spectroscopy Toolbox for the Characterisation of Paramagnetic/Spin‐Crossover Coordination Complexes and Metal‐Organic Cages

(2020) Marc Lehr et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

A Synergy and Struggle of EPR, Magnetometry and NMR: A Case Study of Magnetic Interaction Parameters in a Six-Coordinate Cobalt(II) Complex

(2020) Alexander A. Pavlov et al.   INORGANIC CHEMISTRY

Reaction Pathways and Redox States in α‐Selective Cobalt‐Catalyzed Hydroborations of Alkynes

(2020) Clemens K. Blasius et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Single or Paired? Structure and Reactivity of PNP-Chromium(II) Hydrides

(2020) Jonas C. Ott et al.   INORGANIC CHEMISTRY

Solution of a Puzzle: High-Level Quantum-Chemical Treatment of Pseudocontact Chemical Shifts Confirms Classic Semiempirical Theory

(2020) Lucas Lang et al.   Journal of Physical Chemistry Letters

Picometer Resolution Structure of the Coordination Sphere in the Metal-Binding Site in a Metalloprotein by NMR

(2020) Andrea Bertarello et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Employing paramagnetic shift for responsive MRI probes

(2019) Alice C. Harnden et al.   COORDINATION CHEMISTRY REVIEWS

A trigonal prismatic cobalt(II) complex as a single molecule magnet with a reduced contribution from quantum tunneling

(2019) Alexander A Pavlov et al.   CHEMPHYSCHEM

A New Class of Lanthanide Complexes with three Ligand Centered Radicals: NMR Evaluation of Ligand Field Energy Splitting and Magnetic Coupling

(2019) Markus Hiller et al.   CHEMISTRY-A EUROPEAN JOURNAL

How Do Nuclei Couple to the Magnetic Moment of a Paramagnetic Center? A New Theory at the Gauntlet of the Experiments

(2019) Linda Cerofolini et al.   Journal of Physical Chemistry Letters

Purely Spectroscopic Determination of the Spin Hamiltonian Parameters in High-Spin Six-Coordinated Cobalt(II) Complexes with Large Zero-Field Splitting

(2019) Eugenii Ya. Misochko et al.   INORGANIC CHEMISTRY

Comparison of the Magnetic Anisotropy and Spin Relaxation Phenomenon of Dinuclear Terbium(III) Phthalocyaninato Single-Molecule Magnets Using the Geometric Spin Arrangement

(2018) Takaumi Morita et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Lanthanide-induced relaxation anisotropy

(2018) Elizaveta A. Suturina et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Paramagnetic NMR in solution and the solid state

(2018) Andrew J. Pell et al.   PROGRESS IN NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY

Determination of Large Zero-Field Splitting in High-Spin Co(I) Clathrochelates

(2018) Joscha Nehrkorn et al.   INORGANIC CHEMISTRY

Taking Solution Proton NMR to Its Extreme: Prediction and Detection of a Hydride Resonance in an Intermediate-Spin Iron Complex

(2018) Jonas C. Ott et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

PARASHIFT Probes: Solution NMR and X-ray Structural Studies of Macrocyclic Ytterbium and Yttrium Complexes

(2017) Kevin Mason et al.   INORGANIC CHEMISTRY

Recent progress in synchrotron-based frequency-domain Fourier-transform THz-EPR

(2017) Joscha Nehrkorn et al.   JOURNAL OF MAGNETIC RESONANCE

Rationalization of Anomalous Pseudocontact Shifts and Their Solvent Dependence in a Series of C3-Symmetric Lanthanide Complexes

(2017) Michele Vonci et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Pseudocontact shifts in biomolecular NMR using paramagnetic metal tags

(2017) Christoph Nitsche et al.   PROGRESS IN NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY

Model-free extraction of spin label position distributions from pseudocontact shift data

(2017) Elizaveta A. Suturina et al.   Chemical Science

Pseudocontact shifts from mobile spin labels

(2016) Elizaveta A. Suturina et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Full Susceptibility Tensor for Localized Spin Models with S = 1, 3/2, 2, 5/2 and with Rhombic Anisotropy

(2016) R. Pełka   ACTA PHYSICA POLONICA A

Characterization of Paramagnetic Reactive Intermediates: Predicting the NMR Spectra of Iron(IV)-Oxo Complexes by DFT

(2015) Andrea Borgogno et al.   CHEMISTRY-A EUROPEAN JOURNAL

Temperature dependence of contact and dipolar NMR chemical shifts in paramagnetic molecules

(2015) Bob Martin et al.   JOURNAL OF CHEMICAL PHYSICS

Simulating Frequency-Domain Electron Paramagnetic Resonance: Bridging the Gap between Experiment and Magnetic Parameters for High-Spin Transition-Metal Ion Complexes

(2015) Joscha Nehrkorn et al.   JOURNAL OF PHYSICAL CHEMISTRY B

A partial differential equation for pseudocontact shift

(2014) G. T. P. Charnock et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Giant Residual Dipolar13C-1H Couplings in High-Spin Organoiron Complexes: Elucidation of Their Structures in Solution by13C NMR Spectroscopy

(2013) Matthias Kruck et al.   CHEMISTRY-A EUROPEAN JOURNAL

Spin Density Distribution in Iron(II) and Cobalt(II) Alkyl Complexes Containing 1,3-Bis(2-pyridylimino)isoindolate Ligands

(2013) Désirée C. Sauer et al.   ORGANOMETALLICS

Cobalt Alkyl Complexes of a New Family of Chiral 1,3-Bis(2-pyridylimino)isoindolates and Their Application in Asymmetric Hydrosilylation

(2012) Désirée C. Sauer et al.   INORGANIC CHEMISTRY

Bis(2-pyridylimino)isoindolato iron(ii) and cobalt(ii) complexes: Structural chemistry and paramagnetic NMR spectroscopy

(2011) Matthias Kruck et al.   DALTON TRANSACTIONS

Combining NMR spectroscopy and quantum chemistry as tools to quantify spin density distributions in molecular magnetic compounds

(2009) Martin Kaupp et al.   COORDINATION CHEMISTRY REVIEWS

Frequency domain Fourier transform THz-EPR on single molecule magnets using coherent synchrotron radiation

(2009) Alexander Schnegg et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS