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Article Dans Une Revue Chemical Physics Année : 2004

Infrared matrix isolation and ab initio/DFT studies on carbon monoxide (CO) and hydrazine (N2H4) complexes

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The geometries, energies and vibrational properties of complexes formed between CO and N2H4 have been investigated experimentally using the FTIR matrix isolation technique and computationally using the MP2 or B3LYP methods. Three stable structures were found between the subunits. The carbon hydrogen bonded complex, H2NN(H)H-b-CO (structure 1) is more stable than the oxygen hydrogen bonded complex, H2NN(H)H-b-OC (structure 2) and the oxygen hydrogen bonded T complex (structure 3). Three weak complexes are identified in argon matrix codeposition experiments with the carbon hydrogen bonded complex (structure 1) dominating. These results are confirmed by the photodecomposition experiment of urea in the VUV (vacuum ultraviolet) range. In xenon matrix only the H2NN(H)H-b-CO can be observed. (C) 2003 Elsevier B.V. All rights reserved.

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Fabrice Duvernay, Thierry Chiavassa, Fabien Borget, Jean-Pierre Aycard. Infrared matrix isolation and ab initio/DFT studies on carbon monoxide (CO) and hydrazine (N2H4) complexes. Chemical Physics, 2004, 298 (1-3), pp.241. ⟨10.1016/j.chemphys.2003.11.013⟩. ⟨hal-00367618⟩

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