Early versus late transition metals. Electronic structure of nido-2-CpMLnB4H8, CpMLn = CpTaCl2, CpWH3 and CpCo

Journal article

The mono-metal analog of B5H9, 2-CpCoB4H8, is used as a benchmark for the interpretation of molecular orbital calculations on 2-CpWH3B4H8 and 2-CpTaCl2B4H8, all of which have square pyramidal cluster cores. The latter two molecules are shown to obey the prescription of the cluster electron counting rules for a nido, five atom cluster. On the other hand, although both 2-CpCoB4H8 and 2-CpWH3B4H8 possess metals that obey the 18 electron rule, the metal atom in 2-CpTaCl2B4H8 must be viewed as a 1...

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Authors: Weller, A; Aldridge, S; Fehlner, T

• Publication status: Published
• Journal: INORGANICA CHIMICA ACTA
• Volume: 289
• Issue: 1-2
• Pages: 85-94
• Publication date: 1999-06-15
• DOI: 10.1016/S0020-1693(99)00061-4
• ISSN: 0020-1693
• Language: English
• Keywords: rotation barriers; electronic structure; molecular orbital theory; boranes