Infrared matrix isolation and ab initio/DFT studies on carbon monoxide (CO) and hydrazine (N2H4) complexes
DOI: 10.1016/j.chemphys.2003.11.013
Title: Infrared matrix isolation and ab initio/DFT studies on carbon monoxide (CO) and hydrazine (N2H4) complexes
Journal Title: Chemical Physics
Volume: 298
Publication Date: 8 March 2004
Start Page: 241
End Page: 250
Published online: online 23 December 2003
ISSN: 0301-0104
Author: F Duvernay, T Chiavassa, F Borget, J.P Aycard
Affiliations:
  • Physique des Interactions Ioniques et Moléculaires, UMR 6633, Université de Provence et CNRS, Centre de St Jérôme, case 252, 13397 Marseille Cedex 20, France
  • Abstract: etries, 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)Hb–CO (structure 1) is more stable than the oxygen hydrogen bonded complex, H2NN(H)Hb–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)Hb–CO can be observed.
    Accepted: 4 November 2003
    Received: 23 July 2003
    Tel: +0491288580
    Fax: +0491636510
    Email: duvernay@piimsdm.univ thierry@piimsdm.univ

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