Issue 12, 2011
From the journal:

CrystEngComm

Semi-organic salts of aniline with inorganic acids: prospective materials for the second harmonic generation†

Irena Matulková,*ab   Jaroslav Cihelka,ac   Karla Fejfarová,d   Michal Dušek,d   Michaela Pojarová,d   Přemysl Vaněk,c   Jan Kroupa,c   Michal Šála,e   Radmila Krupkovác  and  Ivan Němecb  

* Corresponding authors

a J. Heyrovský Institute of Physical Chemistry ASCR, v.v.i., Dolejškova 3, Prague 8, Czech Republic
E-mail: irena.mat@atlas.cz

b Faculty of Science, Department of Inorganic Chemistry, Charles University in Prague, Hlavova 8, Prague 2, Czech Republic

c Institute of Physics ASCR, v.v.i., Na Slovance 2, Prague 8, Czech Republic

d Institute of Physics ASCR, v.v.i., Cukrovarnická 10/112, Prague 6, Czech Republic

e Institute of Organic Chemistry and Biochemistry ASCR, v.v.i., Flemingovo nám. 2, Prague 6, Czech Republic

Abstract

Three novel inorganic salts of aniline with sulfuric and selenic acids were prepared and characterized by X-ray structural analysis. Anilinium(1+) selenate, (C6H5NH3+)2SeO42−, and anilinium sulfate, (C6H5NH3+)2SO42−, crystallize in the monoclinic space groupC2. The crystal structures are based on hydrogen bonded layers of alternating anilinium cations and inorganic anions. Anilinium(1+) selenate dihydrate, (C6H5NH3+)2SeO42−·2H2O, crystallizes in the monoclinic space groupC2/c. The crystal structure is formed by a network of alternating anilinium cations, selenate anions and water molecules connected by a system of intermolecular hydrogen bonds. The FTIR and Raman spectra of all the compounds have been recorded and discussed as well as their crystal structures. According to the DSC curves and temperature dependence of lattice parameters, anilinium sulfate exhibits phase transitions at 217 and 182 K. The appropriate changes of vibrational spectra were also recorded during cooling of the sample especially in the N–H stretching and sulfate antisymmetric stretching (ν3SO42−) spectral regions. The quantitative measurements of the second harmonic generation at 1064 nm were performed using powdered samples of anilinium sulfate, anilinium chloride and anilinium selenate, and the relative efficiencies deff = 0.05dKDP, deff = 2.33dKDP and deff = 0.05dKDP (KDP; i.e.KH2PO4) have been observed, respectively.

Graphical abstract: Semi-organic salts of aniline with inorganic acids: prospective materials for the second harmonic generation

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Article information

DOI
https://doi.org/10.1039/C1CE05170A
Article type
Paper
Submitted
04 Feb 2011
Accepted
23 Mar 2011
First published
21 Apr 2011

CrystEngComm, 2011,13, 4131-4138

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Semi-organic salts of aniline with inorganic acids: prospective materials for the second harmonic generation

I. Matulková, J. Cihelka, K. Fejfarová, M. Dušek, M. Pojarová, P. Vaněk, J. Kroupa, M. Šála, R. Krupková and I. Němec, CrystEngComm, 2011, 13, 4131 DOI: 10.1039/C1CE05170A

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