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The Crystal Structure of Trimethyl Borate by Neutron and X‐ray Powder Diffraction |
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| Authors: | M. A. Hartl D. J. Williams A. I. Acatrinei A. Stowe Luke L. Daemen Dr. |
| Affiliation: | 1. Los Alamos, NM/USA, Manuel Lujan, Jr. Neutron Scattering Center, Los Alamos National Laboratory;2. Aiken, SC/USA, Savannah River National Laboratory, Energy Security Department, Building 999‐2W;3. Los Alamos, NM/USA, Manuel Lujan, Jr. Neutron Scattering Center, Los Alamos National LaboratoryManuel Lujan, Jr. Neutron Scattering Center, Los Alamos National Laboratory, Los Alamos, NM 87545–USA |
| Abstract: | The crystal structure of one of the simplest organoboron compounds, trimethyl borate does not appear to have been determined hitherto. The compound is of interest for the study of π‐donor ligands and their interaction with the π‐acceptor behavior of trigonal boron and the consequences of such interactions on molecular structure. We used powder neutron (with isotopically labeled material) and X‐ray diffraction to determine the crystal structure of trimethyl borate at 15 K and 200 K (neutron) and 200 K (X‐ray). The material is hexagonal (Z = 2) with a = b = 6.950(8) Å and c = 6.501(3) Å at 15 K. The unit cell volume is 272.00(1) Å3. The space group is P63/m (SG 176) at 15 K and 200 K. This is the first crystal structure solved on the Neutron Powder Diffractometer (NPDF) at the Lujan Center. |
| Keywords: | Trimethyl borate Trimethoxyborane Neutron powder diffraction X‐ray powder diffraction Crystal structure Boron compounds |