| Autor: |
Kinzer, R. E., Rittby, C. M. L., Graham, W. R. M. |
| Předmět: |
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| Zdroj: |
Journal of Chemical Physics; 2/14/2008, Vol. 128 Issue 6, p064312, 5p, 1 Diagram, 2 Charts, 2 Graphs |
| Abstrakt: |
The Fourier transform infrared spectrum of linear NiC3Ni was observed by trapping the vapor produced from the dual ablation of nickel and carbon rods with Nd:YAG (yttrium aluminum garnet) lasers in solid Ar at ∼10 K. Measurements of 13C isotopic shifts have enabled the identification of the ν3(σu) vibrational fundamental at 1950.8±0.2 cm-1, an asymmetric carbon stretching mode. Experimental results are in good agreement with the predictions of density functional theory at the B3LYP/6-311G* level. Theoretical results suggest that the molecule is slightly floppy. Although other nickel carbide clusters have been studied theoretically or observed by photoelectron spectroscopy or mass spectrometry, this is the first report on the structure of NiC3Ni and its vibrational spectrum. [ABSTRACT FROM AUTHOR] |
| Databáze: |
Complementary Index |
| Externí odkaz: |
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