Shapes, Dynamics, and Stability of β Ionone and Its Two Mutants

We report the potential of state-of-the-art rotational technique (recently built at the University of the Basque Country) with an extended molecular analysis of three biomolecules combined to quantum chemical calculations and crystallized data comparison.

The results are impressive: more than 8000 transitions have been assigned, corresponding to the rotational structures of 54 different species (3 molecules, 14 conformers and 40 isotopologues). In addition, methyl internal rotation dynamics were also observed and analyzed.

The investigation is being published in J. Phys. Chem. Lett.