화학공학소재연구정보센터
Journal of Physical Chemistry A, Vol.104, No.38, 8627-8631, 2000
Matrix-isolation FTIR spectroscopic and DFT studies of the XMNN (X=Cl, Br, M=Cu, Ni) molecules
The ClCuNN, BrCuNN, and ClNiNN molecules have been prepared and isolated in solid argon by co-condensation of the species generated from 1064 nm laser ablation of copper or nickel halides with N-2/Ar gas mixtures. On the basis of isotopic substituted experiments and density functional theory calculations, infrared absorptions at 2296.3, 2297.8, and 2246.3 cm(-1) are assigned to the N-N stretching vibrations of the linear molecules, ClCuNN, BrCuNN, and ClNiNN in solid argon, respectively. The binding energies for ClCuNN, BrCuNN, and ClNiNN with respect to MX (M=Cu, Ni, X=Cl, Br) and N-2 were computationally estimated to be 20.4, 18.7, and 18.9 kcal/mol, respectively.