Rotational spectroscopy of hydrogen-bonded binary trifluoro-propanol conformers: conformational diversity, preference and abundances in a jet expansion
Alex N. Mort, Fan Xie, Arsh S. Hazrah, Yunjie Xu
Abstract
. Good agreement with the predicted spectroscopic properties mentioned above allowed us to clearly identify five binary TFP conformers as the molecular carriers. Particularly, a combined kinetic and thermodynamic model was developed, which provides a satisfactory explanation for the observation and non-observation of the low energy conformers predicted. The role of the intra- and intermolecular hydrogen bonding interactions in the stability ordering of the binary conformers is discussed.
Topics & Concepts
Conformational isomerismChemistryRotational spectroscopyThermodynamicsComputational chemistryCrystallographyChemical physicsMoleculePhysicsOrganic chemistryMolecular Spectroscopy and StructureAdvanced Chemical Physics StudiesSpectroscopy and Laser Applications