The Existence of Tricyanomethane |
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| Authors: | Dr Theresa Soltner M Sc Jonas Häusler Prof Dr Andreas J Kornath |
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| Institution: | Department of Chemistry, Ludwig Maximilian University Munich, Butenandtstrasse 5–13, 81377 Munich (Germany) |
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| Abstract: | Calcium 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 C? H (109.8 pm), C? C (146.7 pm), and C?N (114.7 pm) bonds. |
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| Keywords: | cyanoform hydrogen fluoride quantum chemistry tricyanomethane vibrational spectroscopy |
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