Chemical Communications · 2001 · 101 citations · 16 references
Natural SciencesChemistryPhysicsMolecular PhysicsPhysical ChemistrySpectroscopyMagnetic SusceptibilityRadical ReactionsAbsorption Band AssignmentOrganic Radical SpectroscopyParamagnetic CentersParamagnetic ComplexesParamagnetic SpeciesRadical Species
The longest wave absorption band of the tetramethylthio- tetrathiafulvalene cation radical, which is usually interpreted as a π-dimer band, is shown to be the intrinsic cation radical absorption, all studied cation radicals in solution at room temperature exist as paramagnetic monomers and only tetrathiafulvelene and tetramethyltetrathiafulvalene cation radicals undergo π-dimerization at low temperatures.
16
Time-dependent density functional theory for radicals
So Hirata, Martin Head‐Gordon · Chemical Physics Letters · 1999 · 464 citations
Natural Sciences, Chemistry, Physics +12