1,1-and 1,2-isomers of the diborane(4) compound B-2{1,2-(NH)(2)C6H4}(2) and a TCNQ Co-crystal of the 1,1-isomer

Alibadi, M. A. M. et al. (2009) 1,1-and 1,2-isomers of the diborane(4) compound B-2{1,2-(NH)(2)C6H4}(2) and a TCNQ Co-crystal of the 1,1-isomer. Dalton Transactions(27), pp. 5348-5354. (doi:10.1039/b822225h)

Full text not currently available from Enlighten.

Abstract

The synthesis and X-ray crystal structures of the diborane(4) isomers 1,1-B-2{1,2-(NH)(2)C6H4}(2) and 1,2-B-2{1,2-(NH)(2)C6H4}(2) are described together with the results of quantum chemical calculations which shed light on their relative stabilities and degree of aromaticity. Spectroscopic data are also provided for both isomers of the 4-methyl aryl derivative. The compound 1,1-B-2{1-O-2-(NH)C6H4}(2) has also been prepared and structurally characterised but no evidence was obtained for the corresponding 1,2-isomer. The compound 1,1-B-2{1,2-(NH)(2)C6H4}(2) forms a co-crystal with TCNQ, the structure of which is also reported.

Item Type:Articles
Keywords:ADDUCTS ALUMINUM aromaticity BORON HETEROCYCLES CHEMISTRY CORRELATED MOLECULAR CALCULATIONS CRYSTAL Crystal structure Crystal structures CRYSTAL-STRUCTURE CRYSTAL-STRUCTURES DENSITY GAUSSIAN-BASIS SETS LIGHT RING SYSTEMS STABILITY Structure X-RAY
Status:Published
Refereed:Yes
Glasgow Author(s) Enlighten ID:McGrady, Prof John
Authors: Alibadi, M. A. M., Batsanov, A. S., Bramham, G., Charmant, J. P. H., Haddow, M. F., MacKay, L., Mansell, S. M., McGrady, J. E., Norman, N. C., Roffey, A., and Russell, C. A.
College/School:College of Science and Engineering > School of Chemistry
Journal Name:Dalton Transactions
ISSN:1477-9226

University Staff: Request a correction | Enlighten Editors: Update this record