Issue 9, 2014

Molecular crystals of 2-amino-1,3,4-thiadiazole with inorganic oxyacids – crystal engineering, phase transformations and NLO properties

Abstract

Eight inorganic salts of 2-amino-1,3,4-thiadiazole (2-athd) with hydrochloric, perchloric, nitric, sulphuric, selenic, phosphorous and phosphoric acids were prepared, and their crystal structures were determined. Seven of the compounds crystallise in monoclinic space groups – i.e., 2-athd(1+) chloride monohydrate (P21/c), 2-athd(1+) selenate monohydrate (Pc), 2-athd(1+) dihydrogen phosphate (Cc), 2-athd(1+) phosphite (P21/a), 2-athd(1+) nitrate (P21/c), 2-athd(1+) 2-athd perchlorate (P21/n) and 2-athd(1+) perchlorate (P21/c) – and one crystallises in an orthorhombic space group – 2-athd(1+) hydrogen sulphate (P212121). The thermal behaviours of the materials were studied (DSC) down to liquid nitrogen temperature, and the properties of the perchlorate, hydrogen sulphate and selenate monohydrate crystals were discussed with respect to the results of high or low-temperature X-ray diffraction, IR and Raman spectroscopic studies. Quantitative measurements of the second harmonic generation of the powdered non-centrosymmetric samples at 1064 and 800 nm were performed and a relative efficiency compared to KDP is presented.

Graphical abstract: Molecular crystals of 2-amino-1,3,4-thiadiazole with inorganic oxyacids – crystal engineering, phase transformations and NLO properties

Supplementary files

Article information

Article type
Paper
Submitted
12 Nov 2013
Accepted
11 Dec 2013
First published
12 Dec 2013
This article is Open Access
Creative Commons BY-NC license

CrystEngComm, 2014,16, 1763-1776

Molecular crystals of 2-amino-1,3,4-thiadiazole with inorganic oxyacids – crystal engineering, phase transformations and NLO properties

I. Matulková, J. Cihelka, M. Pojarová, K. Fejfarová, M. Dušek, I. Císařová, P. Vaněk, J. Kroupa, P. Němec, N. Tesařová and I. Němec, CrystEngComm, 2014, 16, 1763 DOI: 10.1039/C3CE42306A

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