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Jahn–Teller Effect in the B12F12 Radical Anion and Energetic Preference of an Octahedral B6(BF2)6 Cluster Structure over an Icosahedral Structure for the Elusive Neutral B12F12

M. Malischewski, E. V. Bukovsky, S. H. Strauss, K. Seppelt, – 2015

The D2h-symmetric B12F12− radical anion is generated by oxidation of [CoCp2+]2B12F122− with AsF5 in SO2. DFT calculations show that, for the unknown neutral B12F12, unprecedented structural isomers [e.g., octahedral B6(BF2)6] are energetically favored instead of an icosahedral structure.

Titel
Jahn–Teller Effect in the B12F12 Radical Anion and Energetic Preference of an Octahedral B6(BF2)6 Cluster Structure over an Icosahedral Structure for the Elusive Neutral B12F12
Verfasser
M. Malischewski, E. V. Bukovsky, S. H. Strauss, K. Seppelt,
Verlag
ACS
Datum
2015
Zitierweise
Inorg. Chem. 2015, 54, 11563-11566
Art
Text