
pmid: 26381297
AbstractCalcium tricyanomethanide reacts with hydrogen fluoride under formation of tricyanomethane and Ca(HF2)2. Tricyanomethane is stable below −40 °C and was characterized by IR, Raman, and NMR spectroscopy. The vibrational spectra were compared to the quantum‐chemical frequencies at the PBE1PBE/6‐311G(3df,3dp) level of theory and confirm the predicted C3v symmetry of the molecule with regular CH (109.8 pm), CC (146.7 pm), and CN (114.7 pm) bonds.
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