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

0427133 - FZÚ 2015 RIV GB eng J - Journal Article
Matulková, Irena - Cihelka, J. - Pojarová, Michaela - Fejfarová, Karla - Dušek, Michal - Císařová, I. - Vaněk, Přemysl - Kroupa, Jan - Němec, P. - Tesařová, N. - Němec, I.
Molecular crystals of 2-amino-1,3,4-thiadiazole with inorganic oxyacids – crystal engineering, phase transformations and NLO properties.
CrystEngComm. Roč. 16, č. 9 (2014), s. 1763-1776. ISSN 1466-8033
Grant - others:AV ČR(CZ) AP0701
Program: Akademická prémie - Praemium Academiae
Institutional support: RVO:68378271
Keywords : molecular crystals * inorganic salts * structure determination * second harmonic generation
Subject RIV: BM - Solid Matter Physics ; Magnetism
Impact factor: 4.034, year: 2014

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 and one crystallises in an orthorhombic space group. 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. Quantitativemeasurements of the second harmonic generation of the powdered non-centrosymmetric samples at 1064 and 800 nmwere performed and a relative efficiency compared to KDP is presented.
Permanent Link: http://hdl.handle.net/11104/0232752