The electronic structure and properties of group 7 oxychlorides, MO3Cl, where M=Tc, Re, and element 107, Bh
- 22 July 2000
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 113 (4) , 1441-1446
- https://doi.org/10.1063/1.481961
Abstract
Fully relativistic density-functional calculations have been performed for group 7 oxychlorides MO 3 Cl , where M=Tc , Re, and element 107, Bh. The results have shown the Bh compound to be thermochemically stable and the most stable towards reduction. Due to increasing dipole moments and electric dipole polarizabilities in the group, volatility of the MO 3 Cl compounds proved to change as TcO 3 Cl>ReO 3 Cl>BhO 3 Cl . For gas-phase chromatography experiments, the adsorptionenthalpy of the molecules on the surface of a chromatography column has been predicted as −78±5 kJ/mol .Keywords
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