Synthesis, crystal structure and NLO property of a nonmetal pentaborate [C{sub 6}H{sub 13}N{sub 2}][B{sub 5}O{sub 6}(OH){sub 4}]
- State Key Laboratory Base of Novel Functional Materials and Preparation Science, Faculty of Materials Science and Chemical Engineering, Ningbo University, Ningbo, Zhejiang 315211 (China)
A nonmetal pentaborate [C{sub 6}H{sub 13}N{sub 2}][B{sub 5}O{sub 6}(OH){sub 4}] (1) has been synthesized by 1,4-diazabicyclo[2.2.2] octane (DABCO) and boric acid, and characterized by single-crystal X-ray diffraction, FTIR, elemental analysis, and thermogravimetric analysis. Compound 1 crystallizes in the monoclinic system with space group Cc (no. 9), a=10.205(2) A, b=14.143(3) A, c=11.003(2) A, {beta}=113.97(3){sup o}, V=1451.1(5) A{sup 3}, Z=4. The anionic units, [B{sub 5}O{sub 6}(OH){sub 4}]{sup -}, are interlinked via hydrogen bonding to form a three-dimensional (3D) supramolecular network containing large channels, in which the protonated [C{sub 6}H{sub 13}N{sub 2}]{sup +} cations are located. Second-harmonic generation (SHG) measurements on the powder samples reveal that 1 exhibits SHG efficiency approximately 0.9 times that of potassium dihydrogen phosphate (KDP). - Graphical abstract: The protonated [C{sub 6}H{sub 13}N{sub 2}]{sup +} cations and the polyanions [B{sub 5}O{sub 6}(OH){sub 4}]{sup -} form a 3D supramolecular network by extensive hydrogen bonds and electrostatic attraction. This compound shows NLO properties and the SHG efficiency is approximately 0.9 times that of KDP.
- OSTI ID:
- 21212128
- Journal Information:
- Journal of Solid State Chemistry, Vol. 181, Issue 12; Other Information: DOI: 10.1016/j.jssc.2008.07.020; PII: S0022-4596(08)00399-X; Copyright (c) 2008 Elsevier Science B.V., Amsterdam, The Netherlands, All rights reserved; Country of input: International Atomic Energy Agency (IAEA); ISSN 0022-4596
- Country of Publication:
- United States
- Language:
- English
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