Fig. 1: Structure of the phenol (Phe) (S) methyloxirane (MOx) complex.
From: Induced photoelectron circular dichroism onto an achiral chromophore
a Schematic view of the complex. The stereogenic centre is indicated by an asterisk. b Most stable structure of the Phe-MOx complex calculated at the B3LYP-D3BJ/6-311 + + G(d,p) level of theory. The hydrogen bond is indicated by a dotted line. c Electronic spectrum of the Phe-MOx complex recorded by using the resonance-enhanced multi photon ionisation technique. The bands marked with asterisk (*) were probed in IR-UV experiments. d Vibrational spectrum of isolated phenol and of the Phe-MOx complex recorded with the IR-UV double resonance technique by setting the probe on the transition origin of bare phenol and of the Phe:MOx complex, respectively. Source data are provided as a Source data file.
