Related Experiment Video
Updated: Jun 23, 2026
Magnetometric Characterization of Intermediates in the Solid-State Electrochemistry of Redox-Active Metal-Organic Frameworks
Published on: June 9, 2023
Infrared spectra and density functional theory calculations of coinage metal disulfide molecules and complexes
Xuefeng Wang1, Binyong Liang, Lester Andrews
1Department of Chemistry, University of Virginia, P.O. Box 400319, Charlottesville, Virginia 22904-4319, USA.
Abstract:
Sulfur diatomic molecules were reacted with laser ablated Cu, Ag, and Au atoms in excess argon and condensed at 7 K. Several reaction products were identified for each metal from matrix infrared spectra through sulfur-34 isotopic shifts, spectra of sulfur isotopic mixtures, and frequencies calculated by density functional theory. The linear centrosymmetric (63)CuS(2), (65)CuS(2), and AuS(2) metal disulfide molecules were observed at 508.7, 504.8, and 455.9 cm(-1), respectively. The bent CuSS, AgSS, and AuSS isomers were identified from 608.6, 580.7, and 601.1 cm(-1) S-S stretching fundamentals, respectively. These group 11 metals also formed cyclic tetrasulfur molecules, MS(4), in contrast to group 10 metal atoms, which formed side-bonded disulfur complexes M(S(2))(2).
Related Concept Videos
02:58Crystal Field Theory - Octahedral Complexes
To explain the observed behavior of transition metal complexes (such as colors), a model involving electrostatic interactions between the electrons from the ligands and the electrons in the unhybridized d orbitals of the central metal atom has been developed. This electrostatic model is crystal field theory (CFT). It helps to understand, interpret, and predict the colors, magnetic behavior, and some structures of coordination compounds of transition metals.
CFT focuses on...
02:46Crystal Field Theory - Tetrahedral and Square Planar Complexes
Crystal field theory (CFT) is applicable to molecules in geometries other than octahedral. In octahedral complexes, the lobes of the dx2−y2 and dz2 orbitals point directly at the ligands. For tetrahedral complexes, the d orbitals remain in place, but with only four ligands located between the axes. None of the orbitals points directly at the tetrahedral ligands. However, the dx2−y2 and dz2 orbitals (along the Cartesian axes) overlap with the ligands less than the dxy,...
02:42Valence Bond Theory
03:02Colors and Magnetism
When atoms or molecules absorb light at the proper frequency, their electrons are excited to higher-energy orbitals. For many main group atoms and molecules, the absorbed photons are in the ultraviolet range of the electromagnetic spectrum, which cannot be detected by the human eye. For coordination compounds, the energy difference between the d orbitals often allows photons in the visible range to be absorbed and emitted, which is seen as colors by the human eye.
03:45Formation of Complex Ions
01:16IR Spectroscopy: Hooke's Law Approximation of Molecular Vibration
According to Hooke's law, the vibrational frequency is directly proportional to the...