1. MALDI-TOF and Quantum Chemical Study of Non-stoichiometric Tantalum Oxychloride Clusters
- Author
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Ilin, E. G., Parshakov, A. S., Yarzhemsky, V. G., Teplyakov, E. A., and Buryak, A. K.
- Subjects
FOS: Physical sciences ,Physics - Atomic and Molecular Clusters ,Atomic and Molecular Clusters (physics.atm-clus) - Abstract
Using the MALDI-TOF spectroscopy method, clusters of non-stoichiometric tantalum oxychlorides formed as a result of hydrolysis of nanoscale reaction products of tantalum pentachloride with acetylene and of interaction with oxygen and air moisture in the process of sample preparation were studied. The formation of oxychloride clusters containing from 2 to 15 tantalum atoms is shown. Quantum chemical calculations of the structure and relative thermodynamic stability of the possible isomers are carried out. The stability of cage Ta structures connected by oxygen bridges with significant contribution of metal-metal bond is established, Comment: 18 pages, 21 figures
- Published
- 2019
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