Synthesis, characterization, and thermal properties of benzylammonium pentaborate [C6H5CH2NH3][B5O6(OH)4]

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Title:Synthesis, characterization, and thermal properties of benzylammonium pentaborate [C6H5CH2NH3][B5O6(OH)4]
Creators:
Beckett, Michael A.
Horton, Peter N.
Hursthouse, Michael B.
Timmis, James L.
Varma, K. Sukumar
Journal or Publication Title:
Collection of Czechoslovak Chemical Communications, 75, 9, pp. 971-980
Uncontrolled Keywords:Thermal decomposition, Hydrogen bonding, Supramolecular, Pentaborate, Benzylammonium

Abstract

[C<sub>6</sub>H<sub>5</sub>CH<sub>2</sub>NH<sub>3</sub>][B<sub>5</sub>O<sub>6</sub>(OH)<sub>4</sub>] was obtained as colourless crystals in high yield from a MeOH/ H<sub>2</sub>O (1:1) solution of benzylamine and boric acid (1:5). A single-crystal X-ray study confirmed that the solid-state structure was comprised of a supramolecular H-bonded pentaborate anion lattice, templated by the benzylammonium cations which occupy positions within the lattice cavities. Each pentaborate anion formed 4 H-bonds to 4 neighbouring pentaborate anions at α,α,α,β acceptor sites. Additionally, each cation H-bonds to 3 pentaborate anions. Crystals were monoclinic, <i>P</i>2<sub>1</sub>/c, with <i>a</i> = 9.3511(2) Å, <i>b</i> = 14.5157(4) Å, <i>c</i> = 10.4670(2) Å, β = 90.778(2)°, <i>T </i>= 120 K, <i>V</i> = 1420.64(6) Å<sup>3</sup>, and <i>Z</i> = 4. TGA/DSC analysis showed that [C6H<sub>5</sub>CH<sub>2</sub>NH<sub>3</sub>][B<sub>5</sub>O<sub>6</sub>(OH)<sub>4</sub>] thermally decomposed in air at 800 °C to 2.5B<sub>2</sub>O<sub>3</sub>, via a low-temperature (200–250 °C) dehydration step to a condensed pentaborate.

Title:Synthesis, characterization, and thermal properties of benzylammonium pentaborate [C6H5CH2NH3][B5O6(OH)4]
Creators:
Beckett, Michael A.
Horton, Peter N.
Hursthouse, Michael B.
Timmis, James L.
Varma, K. Sukumar
Uncontrolled Keywords:Thermal decomposition, Hydrogen bonding, Supramolecular, Pentaborate, Benzylammonium
Divisions:Life and Chemical Sciences > Institute of Organic Chemistry and Biochemistry > Collection of Czechoslovak Chemical Communications
Journal or Publication Title:Collection of Czechoslovak Chemical Communications
Volume:75
Number:9
Page Range:pp. 971-980
E-ISSN:1212-6950
Publisher:Institute of Organic Chemistry and Biochemistry
Related URLs:
URLURL Type
http://dx.doi.org/10.1135/cccc2010046UNSPECIFIED
ID Code:6203
Item Type:Article
Deposited On:11 Oct 2010 15:44
Last Modified:11 Oct 2010 13:44

Citation

Beckett, Michael A.; Horton, Peter N.; Hursthouse, Michael B.; Timmis, James L.; Varma, K. Sukumar (2010) Synthesis, characterization, and thermal properties of benzylammonium pentaborate [C6H5CH2NH3][B5O6(OH)4]. Collection of Czechoslovak Chemical Communications, 75 (9). pp. 971-980.

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