Structure and Spectroscopy of Iron Pentacarbonyl, Fe(CO)<sub>5</sub>
A. Dominic Fortes, Stewart F. Parker
Abstract
for the first time. This has resulted in the re-assignment of several of the modes. Surprisingly, density functional theory calculations that were carried out to support the spectral assignments provided a poor description of the spectra.
Topics & Concepts
ChemistryTriclinic crystal systemvan der Waals forceCrystallographyNeutron diffractionSpectroscopyIntermolecular forceCrystal (programming language)MoleculeCrystal structureNeutron scatteringChemical physicsNeutronPhysicsQuantum mechanicsProgramming languageComputer scienceOrganic chemistryHigh-pressure geophysics and materialsCrystallography and molecular interactionsX-ray Diffraction in Crystallography