Related Experiment Videos
The Existence of Tricyanomethane
Theresa Soltner1, Jonas Häusler1, Andreas J Kornath2
1Department of Chemistry, Ludwig Maximilian University Munich, Butenandtstrasse 5-13, 81377 Munich (Germany).
Angewandte Chemie (International Ed. in English)
|September 19, 2015
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 C(3v) symmetry of the molecule with regular C-H (109.8 pm), C-C (146.7 pm), and C≡N (114.7 pm) bonds.