Photoelectron spectroscopy study of [Ta2B6]−: A hexagonal bipyramidal cluster

Jian, Tian

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https://hdl.handle.net/2142/50946 Copy

Description

Title

Photoelectron spectroscopy study of [Ta2B6]−: A hexagonal bipyramidal cluster

Author(s)

Jian, Tian

Contributor(s)

• Wang, Lai-Sheng
• Romanescu, Constantin
• Li, Weili

Issue Date

2014-06-19

Keyword(s)

Mini-symposium: Beyond the Mass-to-Charge Ratio: Spectroscopic Probes of the Structures of Ions

Abstract

\noindent It has been a long-sought goal in cluster science to discover stable atomic clusters as building blocks for cluster-assembled nanomaterials, as exemplified by the fullerenes and their subsequent bulk syntheses.$^{[1,2]}$ Clusters have also been considered as models to understand bulk properties, providing a bridge between molecular and solid-state chemistry.$^{[3]}$ Herein we report a joint photoelectron spectroscopy and theoretical study on the [Ta$_{2}$B$_{6}$]$^{-}$ and [Ta$_{2}$B$_{6}$] clusters.$^{[4]}$ The photoelectron spectrum of [Ta$_{2}$B$_{6}$]$^{-}$ displays a simple spectral pattern and a large HOMO-LUMO gap, suggesting its high symmetry. Theoretical calculations show that both the neutral and anion are D$_{6h}$ pyramidal. The chemical bonding analyses for [Ta$_{2}$B$_{6}$] revealed the nature of the B$_{6}$ and Ta interactions and uncovered strong covalent bonding between B$_{6}$ and Ta. The D$_{6h}$-[TaB$_{6}$Ta] gaseous cluster is reminiscent of the structural pattern in the ReB$_{6}$X$_{6}$Re core in the [(Cp*Re)$_{2}$B$_{6}$H$_{4}$Cl$_{2}$] and the TiB$_{6}$Ti motif in the newly synthesized Ti$_{7}$Rh$_{4}$Ir$_{2}$B$_{8}$ solid-state compound.$^{[5,6]}$ The current work provides an intrinsic link between a gaseous cluster and motifs for solid materials. Continued investigations of the transition-metal boron clusters may lead to the discovery of new structural motifs involving pure boron clusters for the design of novel boride materials. \noindent \textbf{Reference} \noindent [1] H.W. Kroto, J. R. Heath, S. C. OBrien, R. F. Curl, R. E. Smalley, Nature 1985, 318, 162 – 163. \noindent [2] W. Krtschmer, L. D. Lamb, K. Fostiropoulos, D. R. Huffman, Nature 1990, 347, 354 – 358. \noindent [3] T. P. Fehlner, J.-F. Halet, J.-Y. Saillard, Molecular Clusters: A Bridge to Solid-State Chemitry, Cambridge University Press, UK, 2007. \noindent [4] W. L. Li, L. Xie, T. Jian, C. Romanescu, X. Huang, L.-S. Wang, Angew. Chem. Int. Ed. 2014, 126, 1312 – 1316. \noindent [5] B. Le Guennic, H. Jiao, S. Kahlal, J.-Y. Saillard, J.-F. Halet, S. Ghosh, M. Shang, A. M. Beatty, A. L. Rheingold, T. P. Fehlner, J. Am. Chem. Soc. 2004, 126, 3203 – 3217. \noindent [6] B. P. T. Fokwa, M. Hermus, Angew. Chem. 2012, 124, 1734 – 1737; Angew. Chem. Int. Ed. 2012, 51, 1702 – 1705.

Publisher

International Symposium on Molecular Spectroscopy

Type of Resource

text

Language

English

Permalink

http://hdl.handle.net/2142/50946

DOI

https://doi.org/10.15278/isms.2014.RG15

Copyright and License Information

Copyright 2014 by the authors. Licensed under a Creative Commons Attribution 4.0 International License. http://creativecommons.org/licenses/by/4.0/

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