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Title: A tert-butyl/cyano substituted (1,2,3,5-dithiadiazolyl)benzene and η2 π complexes with CpCr(CO)2
Authors: Boeré, R.T.
Goh, L.-Y. 
Ang, C.Y.
Kuan, S.L. 
Lau, H.F. 
Lin Ng, V.W.
Roemmele, T.L.
Seagrave, S.D.
Keywords: Chromium-sulfur complexes
EPR spectroscopy
Main-group heterocycles
Issue Date: 1-Jun-2007
Citation: Boeré, R.T., Goh, L.-Y., Ang, C.Y., Kuan, S.L., Lau, H.F., Lin Ng, V.W., Roemmele, T.L., Seagrave, S.D. (2007-06-01). A tert-butyl/cyano substituted (1,2,3,5-dithiadiazolyl)benzene and η2 π complexes with CpCr(CO)2. Journal of Organometallic Chemistry 692 (13) : 2697-2704. ScholarBank@NUS Repository.
Abstract: A rational synthesis for 5-tert-butyl-3-cyano-1-(1,2,3,5-dithiadiazolyl)benzene, which was first observed from thermal cleavage of the bis-dithiadiazolyl, has been developed. Voltammetry and electron paramagnetic resonance (EPR) spectra for this radical are reported and its X-ray structure is described. Despite the bulky tBu substituent, the cyano supramolecular synthon is still able to maintain links to a single neighbouring sulfur atom of the S2 unit, as previously observed in cyano-substituted dithiadiazolyls. In the η2 complex with CpCr(CO)2, no such interactions are observed; the nitrile group forms a centrosymmetric dimer through weak contacts with the para H atom on the aryl ring of the partner molecule. This behaviour is contrasted to similar complexes of less bulky dithiadiazolyls, where intermolecular interactions are retained in the crystalline lattice. © 2006 Elsevier B.V. All rights reserved.
Source Title: Journal of Organometallic Chemistry
ISSN: 0022328X
DOI: 10.1016/j.jorganchem.2006.11.049
Appears in Collections:Staff Publications

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