Structure of benzene from mass-correlated rotational Raman spectroscopy
In Heo, Jong Chan Lee, Begüm Rukiye Özer, Thomas Schultz
Abstract
were obtained with lower resolution. Equilibrium and effective bond lengths were estimated from measured inertial moments, based on explicit assumptions and approximations. We discuss the origin of significant bias in previously published geometry parameters and the possibility to derive H,D isotope-specific bond lengths from purely experimental data.
Topics & Concepts
Raman spectroscopyBenzeneSpectroscopyAnalytical Chemistry (journal)Mass spectrometryChemistryMaterials scienceMolecular physicsNuclear magnetic resonanceComputational chemistryPhysicsEnvironmental chemistryChromatographyOpticsOrganic chemistryAstronomyMolecular Spectroscopy and StructureAdvanced Chemical Physics StudiesAtmospheric Ozone and Climate