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Leitz, Dominik; Nitzer, Alexander; Morgenstern, Yvonne; Zischka, Florian and Kornath, Andreas J. (2019): Structural Investigation of Thiourea Dioxide in Superacids. In: European Journal of Inorganic Chemistry, No. 6: pp. 808-812

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In this study a vibrational spectroscopic investigation of thiourea dioxide [(H2N)(2)CSO2] in the superacidic systems XF/MF5 (X = H, D;M = As, Sb) as well as HF/GeF4 is presented. The formed salts [(X2N)(2)CS(OX)(2)](2+)2[MF6](-) are characterized by low temperature vibrational spectroscopy. In the case of 2[(H2N)(2)CS(OH)(2)](2+)[Ge4F20](4-)center dot 4HF a single-crystal X-ray structure is reported. The salt crystallizes in the triclinic space group P1 with one formula unit per unit cell. The results are discussed together with quantum-chemical calculations at the PBE1PBE/6-311G++(3df, 3pd) level of theory.

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