We have made a detailed comparison of experimental infrared spectra of isotopic mixtures of 14N2/15N2 on Ni(110) with spectra calculated according to the dipole–dipole coupling theory of Persson and Ryberg [Phys. Rev. B 24, 6954 (1981)]. The values of the electronic and vibrational polarizabilities used to calculate the spectra are αe =4.4 Å3 and αv =0.26 Å3 . The frequency shift and the intensities of the calculated spectra agree with the corresponding experimental quantities. The full widths at half maximum (FWHM) of the calculated data are narrower than the experimental spectra. The results show that a 36 cm−1 vibrational coupling shift can be accounted for entirely by dipole–dipole coupling. The negative chemical shift of 42 cm−1 is attributed to increased backdonation into the 2π* orbital due to band formation at higher coverages.

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