New configurations of hydrazine (N2H4)n clusters have been calculated from dimer to tetramer which contain one monomer with one inverted NH2 group. This procedure generates new chiral isomers of the clusters. The calculated lineshifts of the asymmetric NH2 wag mode lead for the dimer and the trimer to a much better agreement with the experimental results than obtained in previous calculations without the chiral isomers. For the tetramer the spectra do not differ for the two configurations.
Print ISSN: 0942-9352
Volume: 214, 04/2000
Pages: 437