Harnessing the Formyloxy Radical
In a joint experimental-computational study with the research group of Prof. Neumann, we look at the reactivity of the...
Calculating Isotopic Fractionation in Large Organic Molecules
The application of stable isotopes to address a wide range of biochemical, microbiological and environmental problems is hindered by the...
So what is the best DFT functional to use to calculate transition metal barrier heights?
A new database of transition metal reaction barrier heights (MOBH35) is presented. Benchmark energies (forward and reverse barriers and...
Organic phototransitors based on nanocrystals lacking π-π interactions
We report on the fabrication and characterization of organic phototransistors (OPTs) based on fluorescent nanocrystals assembled from a...
BO21 as a Molecular Rotor?
The cationic dye BO21 has some unusual fluorescent properties, which we studied in this recent report in Photochemical and...
Examining Ultraslow Isomerization in an Anionic C10(−) Cluster
Isomerization and carbon chemistry in the gas phase are key processes in many scientific studies. Here we report on the isomerization...
Combining the best properties of two materials to get better properties - novel self-assembled organ
What happens when you take a water-insoluble perylene diimide (PDI) and a water-insoluble carbon nanotube and combine them? Why you get...
Finding the best way to calculate NMR spectra
NMR is one of the most commonly used spectroscopic techniques in organic, organometallic and inorganic chemistry. It is particularly...
Determining (Finally) the Structure of an Elusive Reaction Intermediate
Enolonium species/iodo(III)enolates of carbonyl compounds have been suggested to be intermediates in a wide variety of hypervalent iodine...
How Do You Detect the Undetectable?
The characteristics of host-guest systems, such as molecular recognition, complexation, encapsulation, guest composition, and dynamic...