The First infrared spectra and quasirelativistic DFT studies of the US, US(2), and US(3) molecules
Related Experiment Video
Updated: Aug 2, 2026

Proton Transfer and Protein Conformation Dynamics in Photosensitive Proteins by Time-resolved Step-scan Fourier-transform Infrared Spectroscopy
Published on: June 27, 2014
Binyong Liang1, Lester Andrews, Nina Ismail
1Department of Chemistry, University of Virginia, Charlottesville, 22904-4319, USA.
Abstract:
Laser-ablated U atoms react with discharged sulfur vapor in excess argon to form the US, US(2), and US(3) molecules, which are identified from matrix infrared spectra using sulfur isotopic substitution. Vibrational frequencies from quasirelativistic DFT calculations support these assignments and provide an insight into the bonding and structure. Unlike linear UO(2), US(2) is bent because of more favorable U(6d)-S(3p) overlap, and US(2) has a 118 +/- 5 degrees (experimental based on isotopic shift) or 121 degrees (calculated (3)B(2) ground state, B3LYP) S-U-S bond angle.
More Related Videos
Related Concept Videos
Infrared (IR) Spectroscopy: Overview
Different compounds display unique properties due to their...
IR Spectrum
Transmittance is defined as the ratio of the radiant power passing through a sample to that from the radiation's source. Multiplying the transmittance by 100 gives the percent transmittance (%T), which varies between 100% (no absorption) and 0% (complete...
UV–Vis Spectroscopy: Molecular Electronic Transitions
IR Spectroscopy: Molecular Vibration Overview
Stretching vibrations are vibrational motions that occur along the bond line, changing the bond length or distance between two bonded atoms. They are further distinguished as symmetric or asymmetric. In symmetric stretching, the...
IR Spectroscopy: Hooke's Law Approximation of Molecular Vibration
According to Hooke's law, the vibrational frequency is directly proportional to the...
IR Frequency Region: Fingerprint Region
The...

