Publications related to Tuning the photophysical properties of cationic iridium(III) complexes containing cyclometallated 1-(2,4-difluorophenyl)-1H-pyrazole through functionalized 2,2 '-bipyridine ligands: blue but not blue enough

Rapid Structure Determination of Molecular Solids Using Chemical Shifts Directed by Unambiguous Prior Constraints

David Lyndon Emsley, Arthur César Pinon, Albert Hofstetter, Federico Maria Paruzzo, Martins Balodis

NMR-based crystallography approaches involving the combination of crystal structure prediction methods, ab initio calculated chemical shifts and solid-state NMR experiments are powerful methods for crystal structure determination of microcrystalline powder ...

2019

Spatial and Morphological Control of Cyanine Dye Thin Films

Nicolas Alexandre Serge Leclaire

Cyanine dyes are organic semiconductor compounds with light absorption and emission properties useful for emerging technologies such as solar cells and light-emitting devices. The characteristics of these materials in the solid state depend on their organi ...

EPFL2018

Synthesis and Physical Properties of 3d, 4d and 5d Transition Metal Compounds

Lin Yang

In this thesis I study the synthesis and basic physical properties characterization on 3

d

, 4

d

and 5

d

transition metal compounds. Great success has been obtained in 3

d

transition metal compounds, in which the electric states are well localized due t ...

EPFL2017

Does Z' equal 1 or 2? Enhanced powder NMR crystallography verification of a disordered room temperature crystal structure of a p38 inhibitor for chronic obstructive pulmonary disease

David Lyndon Emsley

The crystal structure of the Form A polymorph of N-cyclopropyl-3-fluoro-4-methyl-5-[3-[[1-[2-[2-(methylamino) ethoxy] phenyl] cyclopropyl] amino]-2-oxo-pyrazin-1-yl] benzamide (i.e., AZD7624), determined using single-crystal X-ray diffraction (scXRD) at 10 ...

Royal Society of Chemistry2017

Spectroscopic Studies of the Electronic Structure in Layered Cuprates and Ruthenates

Claudia Giuseppina Fatuzzo

In materials where electrons interact strongly, a number of exotic and exciting phenomena arise. The mechanisms at the base of many of these phenomena remain debated, as strongly correlated electron physics represents one of the biggest challenges for mode ...

EPFL2017

Positional Variance in NMR Crystallography

David Lyndon Emsley, Albert Hofstetter

We propose a method to quantify positional uncertainties in crystal structures determined by chemical-shift-based NMR crystallography. The method combines molecular dynamics simulations and density functional theory calculations with experimental and compu ...

American Chemical Society2017

Spin and orbital disordering by hole doping in Pr1-xCaxVO3

Philip Pattison

High-resolution powder x-ray diffraction and single-crystal neutron diffraction were used to investigate the crystal structure and magnetic ordering of the compound Pr1-xCax VO3 (0

Amer Physical Soc2016

CH3NH3PbI3 perovskite single crystals: surface photophysics and their interaction with the environment

Filippo de Angelis, Giulia Grancini

Here we identify structural inhomogeneity on a micrometer scale across the surface of a CH3NH3PbI3 perovskite single crystal. At the crystal edge a local distortion of the crystal lattice is responsible for a widening of the optical bandgap and faster phot ...

Royal Soc Chemistry2015

Long-Range Bonding/Nonbonding Interactions: A Donor Acceptor Resonance Studied by Dynamic NMR

Long-range bonding interactions were evaluated using variable-temperature NMR spectroscopy and suitable 2'-CH2X-substituted phenylpyridines (X = Me, NMe2, OMe, F). It was found that the arylpyridyl rotational barriers were lower when electronegative atoms ...

Amer Chemical Soc2015

A Eu(III) Tetrakis(b-diketonate) Dimeric Complex: Photophysical Properties, Structural Elucidation by Sparkle/AM1 Calculations, and Doping into PMMA Films and Nanowires

Rosario Scopelliti, Jean-Claude Bünzli

Reaction of Ln(III) with a tetrakis(diketone) ligand H4L [1,1?-(4,4?-(2,2-bis((4-(4,4,4-trifluoro-3-oxobutanoyl) phenoxy)methyl)propane-1,3-diyl)bis(oxy)bis(4,1-phenylene))bis(4,4,4-trifluorobutane-1,3-dione)] gives new podates which, according to mass spe ...

American Chemical Society2014

Tuning the photophysical properties of cationic iridium(III) complexes containing cyclometallated 1-(2,4-difluorophenyl)-1H-pyrazole through functionalized 2,2 '-bipyridine ligands: blue but not blue enough

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Rapid Structure Determination of Molecular Solids Using Chemical Shifts Directed by Unambiguous Prior Constraints

Spatial and Morphological Control of Cyanine Dye Thin Films

Synthesis and Physical Properties of 3d, 4d and 5d Transition Metal Compounds

Does Z' equal 1 or 2? Enhanced powder NMR crystallography verification of a disordered room temperature crystal structure of a p38 inhibitor for chronic obstructive pulmonary disease

Spectroscopic Studies of the Electronic Structure in Layered Cuprates and Ruthenates

Positional Variance in NMR Crystallography

Spin and orbital disordering by hole doping in Pr1-xCaxVO3

CH3NH3PbI3 perovskite single crystals: surface photophysics and their interaction with the environment

Long-Range Bonding/Nonbonding Interactions: A Donor Acceptor Resonance Studied by Dynamic NMR

A Eu(III) Tetrakis(b-diketonate) Dimeric Complex: Photophysical Properties, Structural Elucidation by Sparkle/AM1 Calculations, and Doping into PMMA Films and Nanowires

Spectroscopic Studies of the Electronic Structure in Layered Cuprates and Ruthenates

Synthesis and Physical Properties of 3d, 4d and 5d Transition Metal Compounds

Does Z' equal 1 or 2? Enhanced powder NMR crystallography verification of a disordered room temperature crystal structure of a p38 inhibitor for chronic obstructive pulmonary disease

Spin and orbital disordering by hole doping in Pr1-xCaxVO3

Long-Range Bonding/Nonbonding Interactions: A Donor Acceptor Resonance Studied by Dynamic NMR

Positional Variance in NMR Crystallography

A Eu(III) Tetrakis(b-diketonate) Dimeric Complex: Photophysical Properties, Structural Elucidation by Sparkle/AM1 Calculations, and Doping into PMMA Films and Nanowires

CH3NH3PbI3 perovskite single crystals: surface photophysics and their interaction with the environment

Rapid Structure Determination of Molecular Solids Using Chemical Shifts Directed by Unambiguous Prior Constraints

Spatial and Morphological Control of Cyanine Dye Thin Films