Publication

A retrospection on ten years of two-dimensional nuclear magnetic resonance spectroscopy

Publications associées (254)

A solid-state NMR method to determine domain sizes in multi-component polymer formulations

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Polymer domain sizes are related to many of the physical properties of polymers. Here we present a solid-state NMR experiment that is capable of measuring domain sizes in multi-component mixtures. The method combines selective excitation of carbon magnetiz ...

Academic Press Inc Elsevier Science2015

Iridium(I)/N-Heterocyclic Carbene Hybrid Materials: Surface Stabilization of Low-Valent Iridium Species for High Catalytic Hydrogenation Performance

David Lyndon Emsley, David Benjamin Roger Antoine Gajan

An Ir-I(NHC)-based hybrid material was prepared using a methodology which allowed the precise positioning and isolation of the Ir centers along the pore channels of a silica framework. The full characterization of the material by solid-state NMR spectrosco ...

2015

Sensitivity and resolution of proton detected spectra of a deuterated protein at 40 and 60 kHz magic-angle-spinning

David Lyndon Emsley

The use of small rotors capable of very fast magic-angle spinning (MAS) in conjunction with proton dilution by perdeuteration and partial reprotonation at exchangeable sites has enabled the acquisition of resolved, proton detected, solid-state NMR spectra ...

Springer Verlag2015

Structure of Colloidal Quantum Dots from Dynamic Nuclear Polarization Surface Enhanced NMR Spectroscopy

David Lyndon Emsley, Aaron James Rossini

Understanding the chemistry of colloidal quantum dots (QDs) is primarily hampered by the lack of analytical methods to selectively and discriminately probe the QD core, QD surface and capping ligands. Here, we present a general concept for studying a broad ...

2015

Hyperpolarized para-Ethanol

Geoffrey Bodenhausen, Aurélien Bornet, Sami Jannin, Jonas Milani, Basile Vuichoud, Daniele Mammoli

We show that an imbalance between the populations of singlet (S) and triplet (T) states in pairs of magnetically equivalent spins can be generated by dissolution dynamic nudear polarization: In partly deuterated ethanol ((CD3CH2OD)-C-13), this T/S imbalanc ...

Amer Chemical Soc2015

Polymorphs of Theophylline Characterized by DNP Enhanced Solid-State NMR

David Lyndon Emsley, Aaron James Rossini, Arthur César Pinon, David Benjamin Roger Antoine Gajan

We show how dynamic nuclear polarization (DNP) enhanced solid-state NMR spectroscopy can be used to characterize polymorphs and solvates of organic solids. We applied DNP to three polymorphs and one hydrated form of the asthma drug molecule theophylline. F ...

American Chemical Society2015

Fully automatic assignment of small molecules' NMR spectra without relying on chemical shift predictions

Luc Patiny, Julien Wist, Andrés Mauricio Castillo Robles

We present a method for the automatic assignment of small molecules' NMR spectra. The method includes an automatic and novel self-consistent peak-picking routine that validates NMR peaks in each spectrum against peaks in the same or other spectra that are ...

Wiley-Blackwell2015

Procédé de spectroscopie RMN avec dégradations d'induction prolongée de cohérences aux temps de vie longs

Geoffrey Bodenhausen, Aurélien Bornet, Sami Jannin

A Method for nuclear magnetic resonance (NMR) spectroscopy of a sample comprising the following steps: (a) excitation of long lived coherences (LLC) between the singlet state So and the central triplet state To of nuclei of the sample by initiating irradia ...

2014

C13 NMR study of the charge-ordered state near the superconducting transition in the organic superconductor β''−(BEDT-TTF)4[(H3O)Ga(C2O4)3]⋅C6H5NO2

The charge-ordered state in a quasi-two-dimensional organic superconductor β''−(BEDT-TTF)4[(H3O)Ga(C2O4)3]⋅C6H5NO2 has been investigated using C13 NMR spectroscopy in a high magnetic field. Enhanced resolution of the high-field spectrum allows us to estima ...

2014

Nitranilic acid hexahydrate, a novel benchmark system of the Zundel cation in an intrinsically asymmetric environment: spectroscopic features and hydrogen bond dynamics characterised by experimental and theoretical methods

Nitranilic acid (2,5-dihydroxy-3,6-dinitro-2,5-cyclohexadiene-1,4-dione) as a strong dibasic acid in acidic aqueous media creates the Zundel cation, H5O2+. The structural unit in a crystal comprises (H5O2)(2)(+)(2,5-dihydroxy-3,6-dinitro-1,4-benzoquinonate ...

Royal Soc Chemistry2014

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