The crystal structure of trimethyl borate by neutron and X-ray powder diffraction

M. A. Hartl; D. J. Williams; A. I. Acatrinei; A. Stowe; L. L. Daemen

doi:10.1002/zaac.200600229

The crystal structure of trimethyl borate by neutron and X-ray powder diffraction

M. A. Hartl, D. J. Williams, A. I. Acatrinei, A. Stowe, L. L. Daemen

Research output: Contribution to journal › Article › peer-review

8 Scopus citations

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.

Original language	English
Pages (from-to)	120-126
Number of pages	7
Journal	Zeitschrift fur Anorganische und Allgemeine Chemie
Volume	633
Issue number	1
DOIs	https://doi.org/10.1002/zaac.200600229
State	Published - 2007
Externally published	Yes

Keywords

Boron compounds
Crystal structure
Neutron powder diffraction
Trimethoxyborane
Trimethyl borate
X-ray powder diffraction

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10.1002/zaac.200600229

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@article{dc424b1eb3b8471ea231ceadde048c2a,

title = "The crystal structure of trimethyl borate by neutron and X-ray powder diffraction",

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) {\AA} and c = 6.501(3) {\AA} at 15 K. The unit cell volume is 272.00(1) {\AA}3. 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 = "Boron compounds, Crystal structure, Neutron powder diffraction, Trimethoxyborane, Trimethyl borate, X-ray powder diffraction",

author = "Hartl, \{M. A.\} and Williams, \{D. J.\} and Acatrinei, \{A. I.\} and A. Stowe and Daemen, \{L. L.\}",

year = "2007",

doi = "10.1002/zaac.200600229",

language = "English",

volume = "633",

pages = "120--126",

journal = "Zeitschrift fur Anorganische und Allgemeine Chemie",

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TY - JOUR

T1 - The crystal structure of trimethyl borate by neutron and X-ray powder diffraction

AU - Hartl, M. A.

AU - Williams, D. J.

AU - Acatrinei, A. I.

AU - Stowe, A.

AU - Daemen, L. L.

PY - 2007

Y1 - 2007

N2 - 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.

AB - 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.

KW - Boron compounds

KW - Crystal structure

KW - Neutron powder diffraction

KW - Trimethoxyborane

KW - Trimethyl borate

KW - X-ray powder diffraction

UR - https://www.scopus.com/pages/publications/33846012229

U2 - 10.1002/zaac.200600229

DO - 10.1002/zaac.200600229

M3 - Article

AN - SCOPUS:33846012229

SN - 0044-2313

VL - 633

SP - 120

EP - 126

JO - Zeitschrift fur Anorganische und Allgemeine Chemie

JF - Zeitschrift fur Anorganische und Allgemeine Chemie

IS - 1

ER -

The crystal structure of trimethyl borate by neutron and X-ray powder diffraction

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Keywords

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