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DOE OSTI · 1284987

Materials Data on B3H7CO by Materials Project

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Abstract

B2H5BCH2O crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of two (hydroxymethyl)borane molecules and two B2H5 clusters. In each B2H5 cluster, there are two inequivalent B1+ sites. In the first B1+ site, B1+ is bonded in a trigonal non-coplanar geometry to three H+0.43+ atoms. There are a spread of B–H bond distances ranging from 1.20–1.33 Å. In the second B1+ site, B1+ is bonded in a trigonal non-coplanar geometry to three H+0.43+ atoms. There is two shorter (1.20 Å) and one longer (1.32 Å) B–H bond length. There are five inequivalent H+0.43+ sites. In the first H+0.43+ site, H+0.43+ is bonded in a single-bond geometry to one B1+ atom. In the second H+0.43+ site, H+0.43+ is bonded in a single-bond geometry to one B1+ atom. In the third H+0.43+ site, H+0.43+ is bonded in an L-shaped geometry to two B1+ atoms. In the fourth H+0.43+ site, H+0.43+ is bonded in a single-bond geometry to one B1+ atom. In the fifth H+0.43+ site, H+0.43+ is bonded in a single-bond geometry to one B1+ atom.

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36 MATERIALS SCIENCEB-C-H-OB3H7COcrystal structure

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2020-07-15. Materials Data on B3H7CO by Materials Project. https://doi.org/10.17188/1284987

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36 MATERIALS SCIENCE↗