The Protonation of Dithiocarbamic Acid in Superacids HF/MF5: Synthesis and Characterization of H 2 NC(SH) 2 + MF 6 – (M = As, Sb)
The Protonation of Dithiocarbamic Acid in Superacids HF/MF5: Synthesis and Characterization of H...
Axhausen, Joachim; Rühl, Geraldine; Kornath, Andreas
2012-12-01 00:00:00
Dithiocarbamic acid reacts in the superacidic media HF/MF 5 (M = As, Sb) under formation of the corresponding salts H 2 NC(SH) 2 + MF 6 - . The colorless compounds are stable in an inert gas atmosphere up to -20 °C. The salts have been characterized by NMR, IR and Raman spectroscopy. Reactions in DF/AsF5 were carried out to obtain D 2 NC(SD) 2 + AsF 6 - in order to confirm the assignments of the observed vibrational modes. Additionally, quantum-chemical calculations of the free cation, (A 2 NC(SA) 2 ) + (A=H, D), and of the (A 2 NC(SA) 2 ( 3 HF)) + unit on the PBE1BPE/6-311G(3df,3pd) level of theory are discussed.
http://www.deepdyve.com/assets/images/DeepDyve-Logo-lg.pngZeitschrift für Naturforschung Bde Gruyterhttp://www.deepdyve.com/lp/de-gruyter/the-protonation-of-dithiocarbamic-acid-in-superacids-hf-mf5-synthesis-X0ERnWWacI
The Protonation of Dithiocarbamic Acid in Superacids HF/MF5: Synthesis and Characterization of H 2 NC(SH) 2 + MF 6 – (M = As, Sb)
Dithiocarbamic acid reacts in the superacidic media HF/MF 5 (M = As, Sb) under formation of the corresponding salts H 2 NC(SH) 2 + MF 6 - . The colorless compounds are stable in an inert gas atmosphere up to -20 °C. The salts have been characterized by NMR, IR and Raman spectroscopy. Reactions in DF/AsF5 were carried out to obtain D 2 NC(SD) 2 + AsF 6 - in order to confirm the assignments of the observed vibrational modes. Additionally, quantum-chemical calculations of the free cation, (A 2 NC(SA) 2 ) + (A=H, D), and of the (A 2 NC(SA) 2 ( 3 HF)) + unit on the PBE1BPE/6-311G(3df,3pd) level of theory are discussed.
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