Spectroscopic analysis of the open 3d subshell transition metal aluminides: AlV, AlCr, and AlCo

Abstract

Three open 3d subshell transition metal aluminides, AlV, AlCr, and AlCo, have been investigated by resonant two-photon ionization spectroscopy to elucidate the chemical bonding in these diatomic molecules. The open nature of the 3d subshell results in a vast number of excited electronic states in these species, allowing bond strengths to be measured by the observation of abrupt predissociation thresholds in a congested optical spectrum, giving D00(AlV)=1.489±0.010 eV, D00(AlCr)=2.272±0.009 eV, and D00(AlCo)=1.844±0.002 eV. At lower excitation energies the presence of discrete transitions has permitted determinations of the ground state symmetries and bond lengths of AlV and AlCo through rotationally resolved studies, giving r0″ (AlV, Ω″=0)=2.620±0.004 Å and r0″ (AlCo, Ω″=3)=2.3833±0.0005 Å. Ionization energies were also measured for all three species, yielding IE(AlV)=6.01±0.10 eV, IE(AlCr)=5.96±0.04 eV, and IE(AlCo)=6.99±0.17 eV. A discussion of these results is presented in the context of previous work on AlCu, AlNi, AlCa, and AlZn.

The cobalt-doped aluminum AlnCo (n=8–16) and their anions: Structure, thermochemistry, and electron affinities

“…These IP studies show that the electronic shell structure of Al n Co and Al n Co 2 clusters remains similar to that of pure Al n clusters. Morse and co-workers [17] have performed resonant two-photon ionization spectroscopy on small diatomic AlCo aluminides. Pramann et al [18] have measured the photoelectron spectra of small mass-selected aluminum-rich Al n Co − (n = 8-16) and cobalt-rich Co n Al m − clusters (n = 6, 8, 10; m = 1, 2) are measured at photon energies of 3.49 eV with the aid of a magnetic bottle photoelectron spectrometer.…”

“…Therefore, in the last decades a number of studies of bimetallic clusters and diatomic molecules have been performed [8][9][10][11][12]. Among the candidate systems to have been considered, the bimetallic aluminum cobalt clusters have been the topic of some experimental and theoretical studies [13][14][15][16][17]. Several years ago, Nonose et al [13] E-mail address: gl-guoling@163.com.…”

Theoretical Investigation of the Hydrogenated Aluminum Cobalt Clusters

“…To avoid computational bias, the cluster and H2 chemisorptions geometries are fully optimized without imposing symmetry constraints until the maximum force is less than 4.5×10 -4 eV/Å and the maximum displacement is less than 1.8×10 -3 Å. The Binding energies (BE) of AlnCo and AlnCoHm are calculated based on eqs (1) and (2).…”

“…Among the candidate systems to have been considered, the bimetallic aluminum cobalt clusters That has been the topic of some experimental and theoretical studies (Koel et al 1985; Nonose et al 1989; Menezes et al 1991Menezes et al , 1993Behm et al 1994). Several years ago, Nonose and co-workers (1989) performed chemisorptions reactivity studies of neutral AlnCom (n>m) and ConAlm (n>m) clusters toward H2 using a fast flow reactors.…”

Calculated properties of neutral and charged Al n Co m clusters by density functional theory

“…So in the last decades, a number of studies of bimetallic clusters have been performed. Among the candidate systems to be considered, the bimetallic aluminum cobalt clusters have been the topic of some experimental and theoretical studies [2][3][4][5][6]. A few years ago, Nonose et al [7] studied the chemisorption reactivity of neutral Al n Co m (n > m) and Co n Al m (n > m) clusters toward H 2 using fast flow reactors.…”