Angewandte Chemie International Edition · 2002 · 65 citations · 0 references
EngineeringComputational ChemistryChemistrySpectroscopic PropertySpectra-structure CorrelationInorganic CompoundEntropy MinimizationN-hexane Upon ExposureMaterials ScienceInorganic ChemistryInfrared SpectroscopyRhodium Tetracarbonyl HydridePhysical ChemistryQuantum ChemistryHydrogenNatural SciencesSpectroscopyMain Group ChemistryPure-component Spectra
The pure-component spectra of [HRh(CO)4] and [DRh(CO)4] were obtained by investigating solutions of [Rh4(CO)12] in n-hexane upon exposure to varying partial pressures of H2/CO and D2/CO. The in situ high-pressure FTIR spectra were measured and subjected to band-target entropy minimization (BTEM), an advanced signal processing technique (shown schematically).