Journal of Physical Chemistry B, Vol.104, No.6, 1269-1276, 2000
Low-temperature adsorption of N-2, O-2, and D-2 on LiX, NaX, and NaLiX zeolites studied by FT-IR spectroscopy
FT-IR spectra of NZ, O-2, and D-2 adsorbed on the dehydrated LiX, NaLiX, and NaX zeolites are studied at 77 K. The measured shifts of the bond-stretching frequencies and the integrated vibrational fundamental band intensities for admolecules are compared with the results of the recent high-level ab initio calculations. The effective electric fields in zeolite cavities are also reported.
Keywords:VIBRATIONAL FREQUENCY-SHIFTS;INDUCED INFRARED-ABSORPTION;POTENTIAL-ENERGY SURFACE;EXCHANGED A-ZEOLITES;MOLECULAR-HYDROGEN;NEUTRON-DIFFRACTION;MULTIPOLE MOMENTS;DIATOMIC-MOLECULES;NMR-SPECTROSCOPY;MATRIX-ELEMENTS