Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
5375497 | Chemical Physics | 2009 | 8 Pages |
Abstract
The structure and energy of the 1:1 HC5N-C2H2 complexes in solid argon matrices have been investigated using FTIR spectroscopy and DFT calculations, at the B3LYP/6-31G** level of theory. Two 1:1 complexes have been observed. The first one corresponds to a Linear structure characterized by a hydrogen bond between C2H2 and the HC5N nitrogen atom. The second one, a T1-shaped structure, shows an interaction between the HC5N hydrogen atom and the C2H2 Ï system. This shows that HC5N acts either as an electrophile or as a nucleophile with acetylene.
Related Topics
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Authors
I. Couturier-Tamburelli, B. Sessouma, A. Coupeaud, J.-P. Aycard, N. Piétri,