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The Existence of Tricyanomethane.

Authors :
Soltner T
Häusler J
Kornath AJ
Source :
Angewandte Chemie (International ed. in English) [Angew Chem Int Ed Engl] 2015 Nov 09; Vol. 54 (46), pp. 13775-6. Date of Electronic Publication: 2015 Sep 18.
Publication Year :
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.<br /> (© 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.)

Details

Language :
English
ISSN :
1521-3773
Volume :
54
Issue :
46
Database :
MEDLINE
Journal :
Angewandte Chemie (International ed. in English)
Publication Type :
Academic Journal
Accession number :
26381297
Full Text :
https://doi.org/10.1002/anie.201506753