Journal
BULLETIN OF THE KOREAN CHEMICAL SOCIETY
Volume 34, Issue 5, Pages 1361-1365Publisher
WILEY-V C H VERLAG GMBH
DOI: 10.5012/bkcs.2013.34.5.1361
Keywords
Acetonitrile; Ketenimine; N-Methylide; Matrix-infrared; DFT
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Funding
- University of Incheon Research Grant
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The smallest ketenimine and hydrogen cyanide N-methylide (CH2CNH and CH2NCH) are provided from the argon/acetonitrile matrix samples exposed to radiation from laser ablation of transition-metals. New infrared bands are observed in addition to better determination of the vibrational characteristics for the previously reported bands, and the C-13 substituted isotopomers ((CH2CNH)-C-13-C-13 and (CH2NCH)-C-13-C-13) are also generated. Density functional frequency calculations and the D and C-13 isotopic shifts substantiate the vibrational assignments. CH2CNH is probably produced through single-step conversion of CH3CN, whereas CH2NCH through two-step conversion via 2H-azirine. Inter-conversions between these two products evidently do not occur during photolysis and annealing.
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