We present a vibrational study of the CN/Pt(111) system immersed in acetonitrile, using optical sum-frequency generation. Frequencies of 2073cm^-1 (on-top) and 1861cm^-1 (hollow), distinctly above and below that of the isolated molecule, demonstrate a covalent CN-metal bond. Cluster calculations show that the strengthening and weakening of the C-N bond at the on-top and hollow sites is due to a surface-induced depletion of the antibonding 4σ and bonding 1π orbitals, respectively. We illustrate our results with a comparison to the reference CO/Pt(111) system.
No takes yet. Share an insight, caveat, or question.
Daum et al. (1998) studied this question.