Infrared multiple-photon dissociation spectroscopy of cationized glycine: effects of alkali metal cation size on gas-phase conformation
P. B. Armentrout, Brandon C. Stevenson, Maryam Ghiassee, Georgia C. Boles, Giel Berden, Jos Oomens
Abstract
. These two structures reside in a double-well potential and different levels of theory predict very different relative stabilities. Some experimental evidence is provided that MP2(full) theory provides the most accurate relative energies.
Topics & Concepts
Infrared multiphoton dissociationChemistryDissociation (chemistry)Alkali metalInfrared spectroscopyAb initio quantum chemistry methodsAb initioSpectroscopyOxygenBasis setBond-dissociation energyInfraredPhotodissociationMetalCrystallographyPhysical chemistryDensity functional theoryComputational chemistryPhotochemistryMoleculeOpticsQuantum mechanicsOrganic chemistryPhysicsSpectroscopy and Quantum Chemical StudiesMass Spectrometry Techniques and ApplicationsAdvanced Chemical Physics Studies