Ring strain in boroxine rings: computational and experimental considerations Beckmann, Jens, Dakternieks, Dainis, Duthie, Andrew, Lim, Allan E. K. and Tiekink, Edward R.T. 2001, Ring strain in boroxine rings: computational and experimental considerations, Journal of organometallic chemistry, vol. 633, no. 1-2, pp. 149-156, doi: 10.1016/S0022-328X(01)01060-9. Attached Files Name Description MIMEType Size Downloads Title Ring strain in boroxine rings: computational and experimental considerations Author(s) Beckmann, Jens Dakternieks, Dainis Duthie, Andrew Lim, Allan E. K. Tiekink, Edward R.T. Journal name Journal of organometallic chemistry Volume number 633 Issue number 1-2 Start page 149 End page 156 Publisher Elsevier Science B.V. Place of publication Amsterdam, Netherlands Publication date 2001-08-10 ISSN 0022-328X 1872-8561 Keyword(s) DFT analysis boroxine rings ring strain Summary B3LYP/6-311+G(d) calculations indicate that (HBO)3 (4) and (HBO)4 (5) possess (zero-point energy corrected) strain enthalpies of 11.4 and 31.6 kJ mol−1, respectively. The absence of eight-membered (RBO)4 rings is attributed to a combination of ring strain and the lability of the B---O bond. The synthesis, characterization and molecular structure of (PhBO)3·pyridine (1) are described and chemical phenomena related to the addition of amines to triorganoboroxine rings are rationalized in terms of relief of ring strain in 4. Language eng DOI 10.1016/S0022-328X(01)01060-9 Field of Research 039999 Chemical Sciences not elsewhere classified Socio Economic Objective 970103 Expanding Knowledge in the Chemical Sciences HERDC Research category C1 Refereed article in a scholarly journal Copyright notice ©2001, Elsevier Science B.V. Persistent URL http://hdl.handle.net/10536/DRO/DU:30001048 Document type: Journal Article Collections: Faculty of Science, Engineering and Built Environment School of Life and Environmental Sciences Related Links Link Description Connect to published version (restricted access) Go to link with your DU access privileges     Unless expressly stated otherwise, the copyright for items in DRO is owned by the author, with all rights reserved. Versions Version Filter Type Thu, 22 Jan 2009, 08:26:00 EST Sat, 30 May 2009, 07:35:02 EST Mon, 13 Jan 2014, 14:03:11 EST Fri, 13 Jun 2014, 20:44:14 EST Fri, 17 Oct 2014, 08:05:33 EST Filtered Full Citation counts:   Cited 64 times in TR Web of Science Cited 67 times in Scopus Search Google Scholar Access Statistics: 663 Abstract Views, 1 File Downloads  -  Detailed Statistics Created: Mon, 07 Jul 2008, 07:29:01 EST