Structure and bonding of chemisorbed ethylene and ethylidyne on Pt(111) from near edge x-ray absorption fine structure spectroscopy and multiple scattering calculations
作者： JA Horsley , J Stöhr , RJ Koestner , None
DOI: 10.1063/1.449220
关键词:
摘要: The near edge x‐ray absorption fine structure (NEXAFS) spectra of ethylene on Pt(111) at 90 and 300 K have been measured compared to the calculated using multiple scattering Xα method for cluster models adsorbed ethylidyne. results indicate that is in di‐σ configuration (sp3 hybridization) K, π* orbital retains its identity this configuration, with no component along C–C axis. spectrum obtained attributed ethylidyne (CCH3) a consisting species bonded symmetrically three Pt atoms good agreement experiment. calculations show molecular approach useful technique interpreting NEXAFS molecules.
scitation.org
harvard.edu
aip.org
sci-hub.se 参考文章(17)
H. Ibach, D. L. Mills, Electron Energy Loss Spectroscopy and Surface Vibrations ,(1982)
Keith H. Johnson, Scattered-Wave Theory of the Chemical Bond Advances in Quantum Chemistry. ,vol. 7, pp. 143- 185 ,(1973) , 10.1016/S0065-3276(08)60561-4
L. Noodleman, The determination of optical absorption intensities using the Xα scattered wave method Journal of Chemical Physics. ,vol. 64, pp. 2343- 2349 ,(1976) , 10.1063/1.432542
J Stöhr, R Jaeger, None, Absorption-edge resonances, core-hole screening, and orientation of chemisorbed molecules: CO, NO, and N 2 on Ni(100) Physical Review B. ,vol. 26, pp. 4111- 4131 ,(1982) , 10.1103/PHYSREVB.26.4111
RJ Koestner, J Stöhr, JL Gland, JA Horsley, None, Orientation and bonding of ethylene and ethylidyne on Pt(111) by means of near-edge x-ray absorption fine structure spectroscopy Chemical Physics Letters. ,vol. 105, pp. 332- 335 ,(1984) , 10.1016/0009-2614(84)85040-X
T.E. Felter, W.H. Weinberg, A model of ethylene and acetylene adsorption on the (111) surfaces of platinum and nickel Surface Science. ,vol. 103, pp. 265- 287 ,(1981) , 10.1016/0039-6028(81)90112-6
N. Rösch, W.G. Klemperer, K.H. Johnson, On the use of overllapping spheres in the SCF Xα scattered-wave method Chemical Physics Letters. ,vol. 23, pp. 149- 154 ,(1973) , 10.1016/0009-2614(73)80238-6
J. L. Dehmer, Dan Dill, Molecular effects on inner‐shell photoabsorption. K‐shell spectrum of N2 Journal of Chemical Physics. ,vol. 65, pp. 5327- 5334 ,(1976) , 10.1063/1.433034
James W. Davenport, Ultraviolet Photoionization Cross Sections for N 2 and CO Physical Review Letters. ,vol. 36, pp. 945- 949 ,(1976) , 10.1103/PHYSREVLETT.36.945
N. Freyer, G. Pirug, H.P. Bonzel, C(1s) spectroscopy of hydrocarbons adsorbed on Pt(111) Surface Science. ,vol. 126, pp. 487- 494 ,(1983) , 10.1016/0039-6028(83)90747-1