DOI: 10.1063/1.1696450. 11B Quadrupole Coupling Tensors in the Hydrated Borates. II. The Pentaborate Polyanion

11B Quadrupole Coupling Tensors in the Hydrated Borates. II. The Pentaborate Polyanion

10.1063/1.1696450

Crossref journal-article

AIP Publishing

The Journal of Chemical Physics (317)

Abstract

The quadrupolar splitting of the 11B nuclear magnetic resonance signal has been investigated in potassium pentaborate tetrahydrate, KB5O6(OH)4·2H2O, and ulexite, NaCaB5O6(OH)6·5H2O. In the case of the former material, a good single crystal was available, permitting a complete determination of the quadrupole coupling tensors at the single unique tetrahedral site and at the two unique triangular boron sites. A complete determination of the tensors was not possible in the case of ulexite because of the fibrous nature of the material but, by combining single-crystal and powder techniques, it was possible to identify unambiguously three tetrahedral and two triangular boron sites and to set upper and lower limits on the quadrupole coupling constants. The electric quadrupole coupling constants eqQ/h and asymmetry parameters η of the electric-field gradient tensors at the boron sites were determined to be eqQ/hCoordination of(kc/sec)ηboron sitePotassium pentaborate tetrahydrate234±10.093±0.009Tetrahedral2536±30.212±0.004Triangular2521±30.195±0.005TriangularUlexite50&lt;eqQ/h&lt;600Tetrahedral2530±50TriangularThe orientations of the principal axes of the electric-field gradient tensors have also been determined for potassium pentaborate tetrahydrate. The NMR results are in complete agreement with the crystal structures of both compounds as to numbers and coordinations of the boron atoms and as to the nature of the boron—oxygen polyanions.

Bibliography

Lal, K. C., & Petch, H. E. (1965). 11B Quadrupole Coupling Tensors in the Hydrated Borates. II. The Pentaborate Polyanion. The Journal of Chemical Physics, 43(1), 178â184.

Authors 2

K. C. Lal (first)
H. E. Petch (additional)

References 9 Referenced 14

{'key': '2024020823534875500_r1', 'first-page': '266', 'volume': '98', 'year': '1937', 'journal-title': 'Z. Krist.'} / Z. Krist. (1937)
{'key': '2024020823534875500_r2', 'first-page': '334', 'volume': '45', 'year': '1960', 'journal-title': 'Am. Mineralogist'} / Am. Mineralogist (1960)
10.1126/science.145.3638.1295 / Science (1964)
10.1063/1.1731947 / J. Chem. Phys. (1961)
10.1016/S0081-1947(08)60105-8 / Solid State Phys. (1957)
10.1063/1.1744697 / J. Chem. Phys. (1958)
10.1107/S0365110X63001006 / Acta Cryst. (1963)
{'key': '2024020823534875500_r8', 'first-page': '1163', 'volume': '200', 'year': '1963', 'journal-title': 'Nature'} / Nature (1963)
10.1063/1.1743644 / J. Chem. Phys. (1957)

Dates

Type	When
Created	20 years, 7 months ago (Jan. 9, 2005, 3:01 a.m.)
Deposited	1 year, 6 months ago (Feb. 8, 2024, 6:53 p.m.)
Indexed	1 year, 6 months ago (Feb. 8, 2024, 7:16 p.m.)
Issued	60 years, 1 month ago (July 1, 1965)
Published	60 years, 1 month ago (July 1, 1965)
Published Print	60 years, 1 month ago (July 1, 1965)

Funders 0

None

BibTeX

@article{Lal_1965, title={11B Quadrupole Coupling Tensors in the Hydrated Borates. II. The Pentaborate Polyanion}, volume={43}, ISSN={1089-7690}, url={http://dx.doi.org/10.1063/1.1696450}, DOI={10.1063/1.1696450}, number={1}, journal={The Journal of Chemical Physics}, publisher={AIP Publishing}, author={Lal, K. C. and Petch, H. E.}, year={1965}, month=jul, pages={178–184} }

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  "abstract": "<jats:p>The quadrupolar splitting of the 11B nuclear magnetic resonance signal has been investigated in potassium pentaborate tetrahydrate, KB5O6(OH)4\u00b72H2O, and ulexite, NaCaB5O6(OH)6\u00b75H2O. In the case of the former material, a good single crystal was available, permitting a complete determination of the quadrupole coupling tensors at the single unique tetrahedral site and at the two unique triangular boron sites. A complete determination of the tensors was not possible in the case of ulexite because of the fibrous nature of the material but, by combining single-crystal and powder techniques, it was possible to identify unambiguously three tetrahedral and two triangular boron sites and to set upper and lower limits on the quadrupole coupling constants.</jats:p>\n               <jats:p>The electric quadrupole coupling constants eqQ/h and asymmetry parameters \u03b7 of the electric-field gradient tensors at the boron sites were determined to be eqQ/hCoordination of(kc/sec)\u03b7boron sitePotassium pentaborate tetrahydrate234\u00b110.093\u00b10.009Tetrahedral2536\u00b130.212\u00b10.004Triangular2521\u00b130.195\u00b10.005TriangularUlexite50&amp;lt;eqQ/h&amp;lt;600Tetrahedral2530\u00b150TriangularThe orientations of the principal axes of the electric-field gradient tensors have also been determined for potassium pentaborate tetrahydrate.</jats:p>\n               <jats:p>The NMR results are in complete agreement with the crystal structures of both compounds as to numbers and coordinations of the boron atoms and as to the nature of the boron\u2014oxygen polyanions.</jats:p>",
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