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Title

Do agostic interactions play a role in the stabilization of the nido structure of [(PPh3)2RhSB9H10]?

AuthorsBould, Jonathan; Macías, Ramón
KeywordsAgostic
Metallaborane
Cluster structure
Wade's rules
DFT
Rhodathiaborane
Issue Date2014
PublisherElsevier
CitationJournal of Organometallic Chemistry 761: 120-122 (2014)
AbstractDensity functional calculations on [(PPh3)2-nido- RhSB9H10] do not support the proposition that there are agostic interactions between two ortho-phenyl hydrogen atoms and the metal centre. Thus, the claim that these interactions supply the electron-pair 'missing' from the formal Wadian electron-count of 13 skeletal-electron-pairs required for a nido 11-vertex cluster is also not supported. © 2014 Elsevier B.V. All rights reserved.
Publisher version (URL)http://dx.doi.org/10.1016/j.jorganchem.2014.03.018
URIhttp://hdl.handle.net/10261/111774
DOI10.1016/j.jorganchem.2014.03.018
Identifiersdoi: 10.1016/j.jorganchem.2014.03.018
issn: 0022-328X
Appears in Collections:(ISQCH) Artículos
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