IR spectra of hydrogen bonding of H2S doped in Kr solids

Examination of the structures, energetics, and vibrational frequencies of small sulfur‐containing prototypical dimers, (H2S)2 and H2O/H2S

“…The four SH stretching frequencies of (H 2 S) 2 and OH stretching frequencies of (H 2 O) 2 have been measured in the gas phase but not in the mixed dimer. Matrix isolation experiments suggest that definitive assignment of the stretching vibrations in the heterogeneous H 2 O/H 2 S system could be challenging in the gas phase due to overlap with corresponding vibrational bands from the homogeneous H 2 S and H 2 O dimers that would also likely be present in the experiments. Fortunately, sophisticated quantum chemistry computations can be quite helpful in such situations.…”

Very weak interactions: structures, energies and bonding in the tetramers and pentamers of hydrogen sulfide

“…36 Despite the obvious importance in understanding the structures, bonding, and interactions leading to the stabilization of pure H 2 S clusters, the scientic literature is completely void of reports concerning clusters beyond (H 2 S) 3 , with a limited number of either experimental or theoretical works dealing with the dimers and trimers. 57 This lack of studies of H 2 S clusters may be explained by the extreme experimental and theoretical difficulties that arise when treating systems that are held together by very weak interactions. In view of the preceding discussion, in this work, aiming at contributing to the understanding of the structural preferences, energies, and intricate bonding in H 2 S clusters, we attempt stochastic explorations and further characterization of the Potential Energy Surfaces of the (H 2 S) n , n ¼ 4, 5 systems.…”

The H2S Dimer is Hydrogen‐Bonded: Direct Confirmation from Microwave Spectroscopy

“…Experimental studies on the H 2 S dimer are fewer in number than those on the H 2 O dimer. Matrix isolation studies were not conclusive with respect to the structure of the H 2 S dimer in solid N 2 , O 2 , Kr, Xe, and Ar because H 2 S readily aggregates at low temperature to form higher oligomers, and infrared shifts are much smaller than those observed for H 2 O complexes. An experiment that explored the gas phase structure of (H 2 S) 2 by infrared spectroscopy found that the vibrational stretch of the proton‐donating S−H bond is red‐shifted by 31 cm −1 , leading to the proposal that the H 2 S dimer is hydrogen‐bonded.…”