Infrared spectrum and structure of the gold dihydroxide molecule

Abstract

Reactions of laser-ablated gold atoms with H2O2 and H2+O2 mixtures give four new infrared absorptions, which match the four most intense vibrational frequencies calculated for Au(OH)2 using density functional theory; the calculations find a C2h structure and substantial covalent bonding character for the Au(OH)2 molecule, which is probably due to the high electron affinity of gold.

Infrared Spectra and Density Functional Calculations for the Sc(OH)2,3 and HOScO Molecules and the Sc(OH)2+ Cation in Solid Argon

“…Reaction Mechanisms. The metal atom reaction with H 2 O 2 to form metal dihydroxide molecules is straightforward insertion as found in all of our metal experiments, [10][11][12]40,41 and reaction 1 is exothermic by 181 kcal/mol at the B3LYP/6-311++G-(3df,3pd)/SDD level of theory. The trihydroxide molecule is formed by reactions 2 and 3.…”

Infrared spectra and structures of the Th(OH)2 and Th(OH)4 molecules

“…24,26 The most covalent bonding for a metal dihydroxide has recently been found for the C 2h symmetry Au(OH) 2 molecule with a strong O-H stretching vibration observed at 3566 cm À1 . 40 In the tetrahydroxide case, the just recently characterized more covalent Pb(OH) 4 molecule has a computed S 4 structure with bent Pb-O-H bonds and a low 3608 cm À1 O-H stretching frequency. 41 Solid Th(OH) 4 does not appear to form a pure crystalline tetrahydroxide material [8][9][10][11][12][13][14] in spite of the fact that the molecule is very stable.…”

Surface Oxidation of Au(111) Electrode in Alkaline Media Studied by Using X-ray Diffraction and Infrared Spectroscopy: Effect of Alkali Metal Cation on the Alcohol Oxidation Reactions

“…In deuterium water, this band was not observed because of the isotope shift of the vibrational mode including hydrogen. The δ AuOH of Au­(OH) 2 molecule is observed at 885 cm –1 . OH ad on Pt(111) appears at 1130 and 1090 cm –1 in LiOH and HF, respectively. , In general, the frequency of the bending mode is governed by the adsorption energy and hydrogen-bonding configuration.…”