Publications related to Perfluorophenyl-Phenyl Interactions in the Crystallization and Topochemical Polymerization of Triacetylene Monomers

Computation and NMR crystallography of terbutaline sulfate

This article addresses, by means of computation and advanced experiments, one of the key challenges of NMR crystallography, namely the assignment of individual resonances to specific sites in a crystal structure. Moreover, it shows how NMR can be used for ...

JOHN WILEY & SONS LTD2010

Pinning and Depinning of the Polarization of Exciton-Polariton Condensates at Room Temperature

Nicolas Grandjean, Jean-François Carlin, Raphaël Butté, Eric Feltin, Jacques Levrat, Marlene Glauser

A room temperature polariton condensate realized in a microcavity with embedded GaN quantum wells emits linearly polarized light at threshold with the plane of polarization pinned to one of the crystallographic axes. With increasing pumping power, a depinn ...

2010

Powder Crystallography by Combined Crystal Structure Prediction and High-Resolution H-1 Solid-State NMR Spectroscopy

David Lyndon Emsley

A fast method for crystal structure determination Using crystal structure prediction and solid-state H-1 NMI is presented. This technique does not need any prior knowledge except the chemical formula; resonance assignment is not necessary. Starting from an ...

AMER CHEMICAL SOC2010

Validating the model of a (3+1)-dimensional incommensurately modulated structure as generator of a family of compounds for the Eu2(MoO4)3 scheelite structure

Gervais Chapuis, Alla Arakcheeva, Philip Pattison, Jorge Martinez Garcia

The previously proposed model postulating that the incommensurately modulated KNd(MoO

_4

)

_2

structure can act as a generator of the scheelite family members is validated here by refining the crystal structure of europium molybdate, Eu

_2

(MoO

_4

)

_3

. ...

2009

Crystal and magnetic structure of CeVO3

Philip Pattison

The crystal structure and the magnetic ordering pattern of the electrically insulating perovskite CeVO3 was investigated by high-resolution powder X-ray diffraction and single-crystal neutron diffraction. A structural phase transition from an orthorhombic ...

2008

Resolving structures from powders by NMR crystallography using combined proton spin diffusion and plane wave DFT calculations

David Lyndon Emsley

We report a method that combines measured solid-state NMR chemical shifts and first principles calculations to resolve the crystal structure of a powdered crystalline solid to within 0.13 A of the known structure. The validity of this process is confirmed ...

AMER CHEMICAL SOC2007

NMR crystallography of oxybuprocaine hydrochloride, Modification II

David Lyndon Emsley

The C-13 CPMAS spectrum is presented for the polymorph of oxybuprocaine hydrochloride which is stable at room temperature, i.e. Mod. II degrees. It shows crystallographic splittings arising from the fact that there are two molecules, with substantially dif ...

ROYAL SOC CHEMISTRY2007

Synthesis, crystal structures and spectra of Hg(II)-1,2-bis(diphenylphosphino)ethane monoxide complexes: Monomer and polymer formation

The reaction of mercury(II) halides with 1,2-bis(diphenylphosphino)ethane monoxide (dppeO) in 1:1 molar ratio yielded P,O-coordinated polymers having the empirical formula [HgX2(dppeO)]n [X = Cl (1), Br (2), I (3)]. In contrast, the reaction between the sa ...

2007

Assigning carbon-13 NMR spectra to crystal structures by the INADEQUATE pulse sequence and first principles computation: a case study of two forms of testosterone

David Lyndon Emsley

A C-13 CPMAS NMR experiment at high field (11.7 T) has produced significantly improved dispersion for the a form of testosterone, allowing revisions and extensions to be made to the assignments. Correlations shown by an INADEQUATE two-dimensional spectrum, ...

ROYAL SOC CHEMISTRY2006

Spin resonance in the ordered magnetic state of Ni-5(TeO3)(4)Cl-2

László Forró, Helmuth Berger, Bálint Náfrádi

The transition metal tellurium oxychloride, Ni-5(TeO3)(4)Cl-2, has been investigated by high-field electron-spin resonance for frequencies up to 3 THz, at temperatures well below the magnetic ordering at 23 K. At zero external field several resonance modes ...

2006

Perfluorophenyl-Phenyl Interactions in the Crystallization and Topochemical Polymerization of Triacetylene Monomers

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Computation and NMR crystallography of terbutaline sulfate

Pinning and Depinning of the Polarization of Exciton-Polariton Condensates at Room Temperature

Powder Crystallography by Combined Crystal Structure Prediction and High-Resolution H-1 Solid-State NMR Spectroscopy

Validating the model of a (3+1)-dimensional incommensurately modulated structure as generator of a family of compounds for the Eu2(MoO4)3 scheelite structure

Crystal and magnetic structure of CeVO3

Resolving structures from powders by NMR crystallography using combined proton spin diffusion and plane wave DFT calculations

NMR crystallography of oxybuprocaine hydrochloride, Modification II

Synthesis, crystal structures and spectra of Hg(II)-1,2-bis(diphenylphosphino)ethane monoxide complexes: Monomer and polymer formation

Assigning carbon-13 NMR spectra to crystal structures by the INADEQUATE pulse sequence and first principles computation: a case study of two forms of testosterone

Spin resonance in the ordered magnetic state of Ni-5(TeO3)(4)Cl-2

Pinning and Depinning of the Polarization of Exciton-Polariton Condensates at Room Temperature

Validating the model of a (3+1)-dimensional incommensurately modulated structure as generator of a family of compounds for the Eu2(MoO4)3 scheelite structure

Resolving structures from powders by NMR crystallography using combined proton spin diffusion and plane wave DFT calculations

NMR crystallography of oxybuprocaine hydrochloride, Modification II

Synthesis, crystal structures and spectra of Hg(II)-1,2-bis(diphenylphosphino)ethane monoxide complexes: Monomer and polymer formation

Assigning carbon-13 NMR spectra to crystal structures by the INADEQUATE pulse sequence and first principles computation: a case study of two forms of testosterone

Computation and NMR crystallography of terbutaline sulfate

Powder Crystallography by Combined Crystal Structure Prediction and High-Resolution H-1 Solid-State NMR Spectroscopy

Crystal and magnetic structure of CeVO3

Spin resonance in the ordered magnetic state of Ni-5(TeO3)(4)Cl-2