A practical method for calculating the p K a's of selenols in aqueous solution has been
developed by using density functional theory with the SMD solvation model and up to three …

Diselenolene metal complexes show a variety of chemical and physical properties, such as
redox activity, visible–near-infrared absorption, optical nonlinearity, conductivity, and …

We performed an assessment of 10 common DFT functionals to determine their suitability for
calculating the reduction potentials of the ([M (S2C2H2) 2] 0/[M (S2C2H2) 2] 1–),([M …

Metal dithiolates have a wide range of applications from catalysis to molecular conductors
with the ligands being the source of electrons during electrochemical oxidation in an effect …

Due to ligand non‐innocence and reversible one‐electron‐transfer processes dithiolene
complexes have been intensively studied both experimentally and computationally. While …

To reduce our carbon footprint, we must look at alternative non-carbon-containing fuels to
prevent continued global climate change. One environmentally friendly alternative fuel is …

Lithiation of an imidazole-based monothiolate, 2, by excess n-butyllithium gives a white
powder containing both a lithiated product and an nBuLi contaminant (in a ca. 1: 1 molar …

As a result of burning fossil fuels, levels of greenhouse gases in our atmosphere are
increasing at an alarming rate. Such an increase in greenhouse gases threatens our planet …

Molybdenum is the only 4d metal found in almost all life. One such molybdenum-containing
enzyme is sulfite oxidase, which also contains the dithiolene-molybdopterin ligand. Sulfite …

The prototype dithiolene (ethane-1, 2-dithione; dithioglyoxal) constitutes the core component
of metal–dithiolene complexes whose studies have burgeoned during the past half of a …