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Electronic structure and properties of the group 4, 5 and 6 highest chlorides including elements 104, 105, and 106
Abstract
Results of the Dirac-Slater discrete variational calculations for the group 4, 5, and 6 highest chlorides including elements 104, 105, and 106 have shown that the groups are not identical with respect to trends in the electronic structure and bonding. The charge density distribution data show that notwithstanding the basic increase in covalency within the groups this increase diminishes in going from group 4 to group 6. As a result, E106Cl_6 will be less stable toward thermal decomposition than WCl_6, which is confirmed by an estimated low E106-Cl bond energy. \delta H_form equal to -90.3 ± 6 kcal/rnol is obtained for E106Cl_6 in the gas phase, which is indicative of a very low stability of this compound. The stability of the maximum oxidation state is shown to decrease in the direction E104(+4) > E105(+5) > E106(+6).
Citation
In: The Journal of Physical Chemistry. - Washington, DC : Soc.. - Easton, Pa., 98.1994, S. 6468 - 6473Citation
@article{urn:nbn:de:hebis:34-2008102224726,
author={Pershina, Valerija G. and Fricke, Burkhard},
title={Electronic structure and properties of the group 4, 5 and 6 highest chlorides including elements 104, 105, and 106},
year={1994}
}
0500 Oax 0501 Text $btxt$2rdacontent 0502 Computermedien $bc$2rdacarrier 1100 1994$n1994 1500 1/eng 2050 ##0##urn:nbn:de:hebis:34-2008102224726 3000 Pershina, Valerija G. 3010 Fricke, Burkhard 4000 Electronic structure and properties of the group 4, 5 and 6 highest chlorides including elements 104, 105, and 106 / Pershina, Valerija G. 4030 4060 Online-Ressource 4085 ##0##=u http://nbn-resolving.de/urn:nbn:de:hebis:34-2008102224726=x R 4204 \$dAufsatz 4170 7136 ##0##urn:nbn:de:hebis:34-2008102224726
2008-10-22T07:40:22Z 2008-10-22T07:40:22Z 1994 0022-3654 0092-7325 urn:nbn:de:hebis:34-2008102224726 http://hdl.handle.net/123456789/2008102224726 747925 bytes application/pdf eng Urheberrechtlich geschützt https://rightsstatements.org/page/InC/1.0/ 530 Electronic structure and properties of the group 4, 5 and 6 highest chlorides including elements 104, 105, and 106 Aufsatz Results of the Dirac-Slater discrete variational calculations for the group 4, 5, and 6 highest chlorides including elements 104, 105, and 106 have shown that the groups are not identical with respect to trends in the electronic structure and bonding. The charge density distribution data show that notwithstanding the basic increase in covalency within the groups this increase diminishes in going from group 4 to group 6. As a result, E106Cl_6 will be less stable toward thermal decomposition than WCl_6, which is confirmed by an estimated low E106-Cl bond energy. \delta H_form equal to -90.3 ± 6 kcal/rnol is obtained for E106Cl_6 in the gas phase, which is indicative of a very low stability of this compound. The stability of the maximum oxidation state is shown to decrease in the direction E104(+4) > E105(+5) > E106(+6). open access In: The Journal of Physical Chemistry. - Washington, DC : Soc.. - Easton, Pa., 98.1994, S. 6468 - 6473 Pershina, Valerija G. Fricke, Burkhard
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