Picture of a black hole

Strathclyde Open Access research that creates ripples...

The Strathprints institutional repository is a digital archive of University of Strathclyde's Open Access research outputs. Strathprints provides access to thousands of research papers by University of Strathclyde researchers, including by Strathclyde physicists involved in observing gravitational waves and black hole mergers as part of the Laser Interferometer Gravitational-Wave Observatory (LIGO) - but also other internationally significant research from the Department of Physics. Discover why Strathclyde's physics research is making ripples...

Strathprints also exposes world leading research from the Faculties of Science, Engineering, Humanities & Social Sciences, and from the Strathclyde Business School.

Discover more...

The molecular structure of pentaborane(9) with halogen substituents in apical and basal positions, determined by electron diffraction and theoretical calculations

Greatrex, R. and Workman, C. and Johnston, B. and Rankin, D.W.H. and Robertson, H.E. (2004) The molecular structure of pentaborane(9) with halogen substituents in apical and basal positions, determined by electron diffraction and theoretical calculations. Dalton Transactions, 11. pp. 1719-1725. ISSN 1472-7773

Full text not available in this repository. (Request a copy from the Strathclyde author)

Abstract

The molecular structures of 1-bromo–pentaborane(9) and 2-bromo–pentaborane(9) in the gas phase have been determined by electron diffraction and ab initio and DFT computational methods. Computational methods have also been applied to the fluoro and chloro analogues, to 1,2-dibromo-pentaborane(9), and to the parent unsubstituted borane. The electronic effects of halogen substitution on the borane cage are remarkably small, particularly for chlorine and bromine substituents, and steric effects are also minimal, even in the compound with two bromine atoms. The largest effects are (a) lengthening of B(base)–B(apex) bonds adjacent to the halogen in the 2-isomers, with an associated shortening of the opposite base–apex bond, (b) shortening of the B(base)–B(apex) bond in the 1-fluoro compound, and (c) increase of the B(base)–B(apex)–F angle in 1-F–B5H8, but a decrease in this angle in the 2-bromo compounds.