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Full-Text Articles in Physical Sciences and Mathematics
Electronic Structure And Properties Of Isoelectronic Magic Clusters: Al13x (X=H,Au,Li,Na,K,Rb,Cs), Yeon Jae Ko, Anisha Shakya, Haopeng Wang, Andrej Grubisic, Weijun Zheng, Matthias Gotz, Gerd Gantefor, Kit H. Bowen, Puru Jena, Boggavarapu Kiran
Electronic Structure And Properties Of Isoelectronic Magic Clusters: Al13x (X=H,Au,Li,Na,K,Rb,Cs), Yeon Jae Ko, Anisha Shakya, Haopeng Wang, Andrej Grubisic, Weijun Zheng, Matthias Gotz, Gerd Gantefor, Kit H. Bowen, Puru Jena, Boggavarapu Kiran
Physics Publications
The equilibrium structure, stability, and electronic properties of the Al13X (X=H,Au,Li,Na,K,Rb,Cs) clusters have been studied using a combination of photoelectron spectroscopy experiment and density functional theory. All these clusters constitute 40 electron systems with 39 electrons contributed by the 13 Al atoms and 1 electron contributed by each of the X (X=H,Au,Li,Na,K,Rb,Cs) atom. A systematic study allows us to investigate whether all electrons contributed by the X atoms are alike and whether the structure, stability, and properties of all the magic clusters are similar. Furthermore, quantitative agreement between the calculated and the measured electron affinities and vertical detachment energies enable …
The Applicability Of Three-Dimensional Aromaticity In Bisnn- Zintl Analogues, Penee A. Clayborne, Ujjwal Gupta, Arthur C. Reber, Joshua J. Melko, Shiv N. Khanna, A. W. Castleman Jr.
The Applicability Of Three-Dimensional Aromaticity In Bisnn- Zintl Analogues, Penee A. Clayborne, Ujjwal Gupta, Arthur C. Reber, Joshua J. Melko, Shiv N. Khanna, A. W. Castleman Jr.
Physics Publications
Three-dimensional aromaticity is shown to play a role in the stability of deltahedral Zintl clusters and here we examine the connection between aromaticity and stability. In order to gain further insight, we have studied Zintl analogs comprised of bismuthdopedtin clusters with photoelectron spectroscopy and theoretical methods. To assign aromaticity, we examine the ring currents induced around the cage by using the nucleus independent chemical shift. In the current study, BiSn4− is a stable cluster and fits aromatic criteria, while BiSn5− is found to fit antiaromatic criteria and has reduced stability. The more stable clusters exhibit an aromatic character which originates …