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Theoretical studies of adsorbate binding and ionization of methoxy on the Cu(111) surface

✍ Scribed by K. Hermann; C. Meyer

Publisher
Elsevier Science
Year
1992
Weight
73 KB
Volume
277
Category
Article
ISSN
0167-2584

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The optimized geometries and computed vibrational frequencies for Ε½ . CH O adsorbed at fcc and hcp threefold sites were determined for the Al 111 and 3 Ε½ . Cu 111 surfaces using cluster calculations. The frequencies of the first overtone for the three CH bending modes are found to be very close to