The viability of aluminum Zintl anion moieties within magnesium-aluminum clusters
Abstract
Through a synergetic combination of anion photoelectron spectroscopy and density functional theory based calculations, we have investigated the extent to which the aluminum moieties within selected magnesium-aluminum clusters are Zintl anions. Magnesium-aluminum cluster anions were generated in a pulsed arc discharge source. After mass selection, photoelectron spectra of MgmAln− (m, n = 1,6; 2,5; 2,12; and 3,11) were measured by a magnetic bottle, electron energy analyzer. Calculations on these four stoichiometries provided geometric structures and full charge analyses for the cluster anions and their neutral cluster counterparts, as well as photodetachment transition energies (stick spectra). Calculations revealed that, unlike the cases of recently reported sodium-aluminum clusters, the formation of aluminum Zintl anion moieties within magnesium-aluminum clusters was limited in most cases by weak charge transfer between the magnesium atoms and their aluminum cluster moieties. Only in cases of high magnesium content, e.g., in Mg3Al11 and Mg2Al12−, did the aluminum moieties exhibit Zintl anion-like characteristics.
Document Details
- Document Type
- Pub Defense Publication
- Publication Date
- Mar 24, 2014
- Source ID
- 10.1063/1.4869104
Entities
People
- Anil K. Kandalam
- Boggavarapu Kiran
- Bryan W Eichhorn
- Gerd Gantefoer
- Hansgeorg Schnoeckel
- Haopeng Wang
- Kit H. Bowen Jr.
- Puru Jena
- Xinxing Zhang
- Yeon Jae Ko
Organizations
- Air Force Office of Scientific Research
- Johns Hopkins University
- Karlsruhe Institute of Technology
- University of Maryland
- West Chester University of Pennsylvania