Element- and enantiomer-selective visualization of ibuprofen dimer vibrations

TL;DR

This paper discusses advanced spectroscopic techniques using femtosecond lasers and X-ray free electron lasers to visualize and distinguish vibrational dynamics and enantiomeric differences in molecules like ibuprofen at atomic resolution.

Contribution

It introduces a novel approach combining optical and X-ray spectroscopy for element- and enantiomer-specific vibrational visualization in molecular dimers.

Findings

Demonstrates enantiomer-specific vibrational signatures

Shows element-specific vibrational dynamics in ibuprofen dimer

Highlights potential for chemical and biological applications

Abstract

In chemistry, biology and materials science, the ability to access interatomic interactions and their dynamical evolution has become possible with the advent of femtosecond lasers. In particular, the observation of vibrational wave packets via optical (UV-visible-IR) spectroscopies has been a major achievement as it can track the motion of nuclei within the system. However, optical spectroscopies only detect the effect of the interatomic vibrations on the global electronic surfaces. New tuneable, pulsed and polarized sources of short-wavelength radiation, such as X-Ray Free electron lasers, can overcome this limitation, allowing for chemical and, of primary importance in biochemistry, enantiomeric selectivity. This selectivity may be complemented by taking into account the chemical shifts of atoms belonging to different molecular moieties