Addition of water and methanol to Al3O3− studied by mass spectrometry and anion photoelectron spectroscopy

Abstract

The 4.66 eV photoelectron spectra of Al3O3−, Al3O3−⋅solvent and Al3O3−⋅(solvent)2 (solvent=H2O, D2O, and CH3OH) have been obtained and analyzed in the context of existing and preliminary new density functional theory calculations. The structures and vibrational frequencies of the two isomers of Al3O3− and Al3O3 proposed by Ghanty and Davidson [J. Phys. Chem. A 103, 8985 (1999)] agree well with structural information extracted from the Al3O3− spectra using Franck–Condon simulations. Photoelectron spectra of Al3O3−⋅solvent complexes [EA=2.5(1) eV] are broad and congested, and hydroxide formation, multiple structural isomers, and anion photodissociation are suggested as possible sources of this. The photoelectron spectra of Al3O3−⋅(solvent)2 complex spectra [EA=3.05(10) eV] show two distinct electronic transitions, several of which exhibit partially-resolved vibrational structure that are similar to the two electronic bands attributed to the bare rectangular structural isomer of Al3O3−. Possible adsorption scenarios are suggested, with hydroxide formation being the most consistent with trends observed in both the photoelectron and mass spectra.

H 2 production from reactions between water and small molybdenum suboxide cluster anions

“…This phenomenon of trapped, high-energy intermediates was observed previously in studies on aluminum suboxide clusters. [15][16][17] A number of water reactivity studies have been done on a range of transition metal atoms, metal clusters, and metal oxide clusters, most of which have been cationic. Not all species show high reactivity toward water, with many forming molecular complexes instead.…”

Gas phase structures and charge localization in small aluminum oxide anions: Infrared photodissociation spectroscopy and electronic structure calculations

“…[13][14][15][16] Aluminum oxide anions up to Al 7 O 5 − have been studied using anion photoelectron (APE) spectroscopy. [17][18][19][20][21] The APE spectra of the smaller anions are vibrationally resolved, and when combined with electronic structure calculations, they allowed identifying an Al-(O) 2 -Al rhombus as a common structural motif of small neutral and anionic dinuclear aluminum oxides. 18 Recently, vibrational and rotational molecular constants of AlO − were determined by means of autodetachment spec-troscopy.…”

Generation and reactivity of putative support systems, Ce-Al neutral binary oxide nanoclusters: CO oxidation and C–H bond activation

“…37,39,40 Many excellent studies have been reported in the last decade with regard to the structure and reactivities of gas phase cationic 37,38, and anionic 42 [80][81][82] The groups of Wang and Jarrold performed detailed spectroscopic studies on aluminum oxide clusters. 76,[83][84][85][86][87] Rather interesting reactivity trends are reported by the Schwarz and Castleman groups for oxidation reactions generated by Al 2 O 3 + , 51,88,89 and methane activation by the oxygen-rich Al 2 O 7 + cluster suggests the importance and influence of chemically absorbed O 2 for the C-H bond activation reaction. 43 Other studies of gas phase cerium and aluminum oxide ionic clusters can be found in Refs.…”