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Cocrystals of 2-Aminopyrimidine with Boric Acid—Crystal Engineering of a Novel Nonlinear Optically (NLO) Active Crystal

1
Department of Inorganic Chemistry, Faculty of Science, Charles University, Hlavova 8, 128 43 Prague 2, Czech Republic
2
Section Crystallography, Institute of Geology and Mineralogy, University of Cologne, Zülpicher Str. 49b, 50674 Köln, Germany
3
Department of Chemical Physics and Optics, Faculty of Mathematics and Physics, Charles University, Ke Karlovu 3, 121 16 Prague 2, Czech Republic
*
Author to whom correspondence should be addressed.
Crystals 2019, 9(8), 403; https://doi.org/10.3390/cryst9080403
Received: 16 July 2019 / Revised: 29 July 2019 / Accepted: 31 July 2019 / Published: 3 August 2019
(This article belongs to the Special Issue Novel Hydrogen-bonded Materials with Significant Physical Properties)
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Abstract

Crystal engineering of novel materials for nonlinear optics (NLO) based on 2-aminopyrimidine yielded two molecular cocrystals with boric acid—trigonal (P3221 space group) 2-aminopyrimidine—boric acid (3/2) and monoclinic (C2/c space group) 2-aminopyrimidine—boric acid (1/2). In addition to crystal structure determination by single crystal X-ray diffraction, the cocrystals were characterized by powder X-ray diffraction and vibrational spectroscopy (FTIR and FT Raman). Large single crystals of the non-centrosymmetric cocrystal 2-aminopyrimidine—boric acid (3/2) were grown to study the optical properties and determine the second harmonic generation (SHG) efficiency (using 800 nm fundamental laser line) of powder samples. View Full-Text
Keywords: 2-aminopyrimidine/boric acid (3/2); 2-aminopyrimidine/boric acid (1/2); crystal structure; vibrational spectra; crystal growth; SHG 2-aminopyrimidine/boric acid (3/2); 2-aminopyrimidine/boric acid (1/2); crystal structure; vibrational spectra; crystal growth; SHG
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This is an open access article distributed under the Creative Commons Attribution License which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited (CC BY 4.0).

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Kloda, M.; Matulková, I.; Císařová, I.; Becker, P.; Bohatý, L.; Němec, P.; Gyepes, R.; Němec, I. Cocrystals of 2-Aminopyrimidine with Boric Acid—Crystal Engineering of a Novel Nonlinear Optically (NLO) Active Crystal. Crystals 2019, 9, 403.

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