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Soltner T, Häusler J, Kornath AJ. The Existence of Tricyanomethane. Angew Chem Int Ed Engl. 2015;54(46):13775-6doi: 10.1002/anie.201506753.
Soltner, T., Häusler, J., & Kornath, A. J. (2015). The Existence of Tricyanomethane. Angewandte Chemie (International ed. in English), 54(46), 13775-6. https://doi.org/10.1002/anie.201506753
Soltner, Theresa, et al. "The Existence of Tricyanomethane." Angewandte Chemie (International ed. in English) vol. 54,46 (2015): 13775-6. doi: https://doi.org/10.1002/anie.201506753
Soltner T, Häusler J, Kornath AJ. The Existence of Tricyanomethane. Angew Chem Int Ed Engl. 2015 Nov 09;54(46):13775-6. doi: 10.1002/anie.201506753. Epub 2015 Sep 18. PMID: 26381297.
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Angew Chem Int Ed Engl. 2015 Nov 09;54(46):13775-6. doi: 10.1002/anie.201506753. Epub 2015 Sep 18.

The Existence of Tricyanomethane.

Angewandte Chemie (International ed. in English)

Theresa Soltner, Jonas Häusler, Andreas J Kornath

Affiliations

  1. Department of Chemistry, Ludwig Maximilian University Munich, Butenandtstrasse 5-13, 81377 Munich (Germany).
  2. Department of Chemistry, Ludwig Maximilian University Munich, Butenandtstrasse 5-13, 81377 Munich (Germany). [email protected].

PMID: 26381297 DOI: 10.1002/anie.201506753

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.

© 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Keywords: cyanoform; hydrogen fluoride; quantum chemistry; tricyanomethane; vibrational spectroscopy

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