A5039030721- Crystallization and Solubility Studies
- X-ray Diffraction in Crystallography
- Crystallography and molecular interactions
- Lanthanide and Transition Metal Complexes
- Magnetism in coordination complexes
- Atmospheric chemistry and aerosols
- Molecular spectroscopy and chirality
- Metal complexes synthesis and properties
- Photochemistry and Electron Transfer Studies
- Atmospheric Ozone and Climate
- Superconducting Materials and Applications
- Free Radicals and Antioxidants
- Organometallic Complex Synthesis and Catalysis
- Asymmetric Synthesis and Catalysis
- Axial and Atropisomeric Chirality Synthesis
- Metal-Organic Frameworks: Synthesis and Applications
- Spectroscopy and Laser Applications
University of Copenhagen
2017-2021
The University of Queensland
2017
Alstom (France)
1995
Peroxy radical hydrogen shift (H-shift) reactions are key to the formation of highly oxidized organic molecules and particle growth in atmosphere. In an H-shift reaction, a atom is transferred peroxy from within same molecule form hydroperoxy alkyl radical, which can undergo O2 uptake further reactions. Here we use experimentally verified theoretical approach based on multi-conformer transition state theory calculate rate constants for systematic set H-shifts. Our results show that...
Hydroperoxides are formed in significant amounts the atmosphere by oxidation of volatile organic compounds and key aerosol formation. In a room-temperature experiment, we detected formation bimolecular complexes tert-butyl hydroperoxide (t-BuOOH) corresponding alcohol tert-butanol (t-BuOH), with dimethyl ether (DME) as hydrogen-bond acceptor. Using combination Fourier-transform infrared spectroscopy quantum chemical calculations, compare strength OH-O hydrogen bond total complexation. We...
We report the synthesis, characterization, and magnetic properties of eight neutral functionalized trigonal lanthanide coordination complexes LnL with Ln = Gd (1), Tb (2), Dy (3), Ho (4), Er (5), Tm (6), Yb (7), Lu (8). These were prepared through a one-pot synthesis where, first, ligand H3L was synthesized in situ Schiff base reaction tris(2-aminoethyl)amine 2,6-diformyl-p-cresol. Following addition Ln(OTf)3·xH2O base, obtained. Powder X-ray diffraction confirms that all are isostructural....
BINOL N-triflylphosphoramides are versatile organocatalysts for reactions of carbonyl compounds. Upon activation by N-triflylphosphoramides, divinyl ketones undergo rapid and highly enantioselective (torquoselective) Nazarov cyclizations, making one the most important classes catalysts cyclization. However, mechanism factors that determine enantioselectivity have not been established until now. Theoretical calculations with ONIOM M06-2X reported which examine how activate control...
We present a synthetic strategy to prepare the first heterodinuclear lanthanide(<sc>iii</sc>) cryptate complexes. The design ensures that complexes are stable in solution for days. exchange coupling YbYb, GdGd and YbGd is investigated.
Heterolanthanide complexes are difficult to synthesize owing the similar chemistry of lanthanide ions. Conse-quently, very few purely heterolanthanide have been synthesized. This is despite fact that such hold inter-esting optical and magnetic properties. To fine-tune these properties, it important one can choose with any given combination lanthanides. Herein we report a synthetic procedure which yields pure heterodinuclear cryptates LnLn*LX3 (X = NO3- or OTf-) based on cryptand H3L...
Heterolanthanide complexes are difficult to synthesize owing the similar chemistry of lanthanide ions. Conse-quently, very few purely heterolanthanide have been synthesized. This is despite fact that such hold inter-esting optical and magnetic properties. To fine-tune these properties, it important one can choose with any given combination lanthanides. Herein we report a synthetic procedure which yields pure heterodinuclear cryptates LnLn*LX3 (X = NO3- or OTf-) based on cryptand H3L...