Please use this identifier to cite or link to this item: https://doi.org/10.1016/S0022-328X(01)01060-9
Title: Ring strain in boroxine rings: Computational and experimental considerations
Authors: Beckmann, J.
Dakternieks, D.
Duthie, A.
Lim, A.E.K.
Tiekink, E.R.T. 
Keywords: Boroxine rings
DFT analysis
Ring strain
Issue Date: 10-Aug-2001
Citation: Beckmann, J., Dakternieks, D., Duthie, A., Lim, A.E.K., Tiekink, E.R.T. (2001-08-10). Ring strain in boroxine rings: Computational and experimental considerations. Journal of Organometallic Chemistry 633 (1-2) : 149-156. ScholarBank@NUS Repository. https://doi.org/10.1016/S0022-328X(01)01060-9
Abstract: 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 kJmol-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. © 2001 Elsevier Science B.V.
Source Title: Journal of Organometallic Chemistry
URI: http://scholarbank.nus.edu.sg/handle/10635/94727
ISSN: 0022328X
DOI: 10.1016/S0022-328X(01)01060-9
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