Photoelectron Circular Dichroism as a Probe of Chiral Hydrocarbons

Abstract

The sensitivity of Photoelectron Circular Dichroism (PECD) in the angular distribution of photoelectrons, a recent chiral technique, to detect chirality in pure hydrocarbons is investigated in a number of benchmark molecules. It is found that a very large chiral signal is expected, surpassing most current examples, giving a sure fingerprint of absolute configuration. On the other hand, the sensitivity to specific isomers or closely related molecules is relatively modest.

Trends in angle-resolved molecular photoelectron spectroscopy

“…Let us remind that absolute configuration assignment of chiral molecules still presents difficult cases, with relatively few techniques available, 250 and PECD stands as a very powerful technique in this respect. 251…”

“…Let us remind that absolute configuration assignment of chiral molecules still presents difficult cases, with relatively few techniques available, 250 and PECD stands as a very powerful technique in this respect. 251 Many details of molecular structure can be analyzed. At variance with IP, s or b 2 , PECD, like other chiral techniques, is generally very sensitive to molecular conformation, as has been highlighted by theoretical simulations.…”

Conformations of Steroid Hormones: Infrared and Vibrational Circular Dichroism Spectroscopy

“…Recently, several new techniques have been developed for structural characterization of chiral molecular systems in the gas phase. These include, for example, Coulomb explosion imaging [ 7 , 8 ], the microwave three-wave mixing technique [ 9 ], chiral-tag rotational spectroscopy [ 10 , 11 ], and photoelectron circular dichroism (PECD) [ 12 , 13 ]. Chiroptical spectroscopies, on the other hand, can provide significant insight into structural information including absolute configurations and conformational distributions of chiral molecules directly in solution.…”

Current Density and Spectroscopy—A Themed Issue in Honor of Professor Riccardo Zanasi on the Occasion of His 70th Birthday

“…A third set of papers is connected with chiroptical spectroscopies, either experimentally or theoretically: a report of a chirality transfer in a calixarene-based pseudorotaxane [16], a test of photoelectron circular dichroism as a probe for chirality [17], and a theoretical scrutiny of the electronic currents and anapolar response induced in molecules by monochromatic light [18].…”