The occupied and unoccupied electronic structure of adsorbed ferrocene

被引:28
作者
Dowben, PA [1 ]
Waldfried, C
Komesu, T
Welipitiya, D
McAvoy, T
Vescovo, E
机构
[1] Univ Nebraska, Behlen Lab Phys, Dept Phys & Astron, Lincoln, NE 68588 USA
[2] Univ Nebraska, Ctr Mat Res & Anal, Lincoln, NE 68588 USA
[3] Brookhaven Natl Lab, Natl Synchrotron Light Source, Upton, NY 11973 USA
关键词
D O I
10.1016/S0009-2614(97)01316-X
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
We have studied both the occupied and unoccupied molecular orbitals of adsorbed ferrocene. The occupied molecular orbitals have been identified using a combination of photoemission selection rules and resonant photoemission. Ferrocene adsorbs with a strong preferential molecular orientation on Mo(112) at 150 K, like metallocenes on many other surfaces. Though the ferrocene molecular axis is largely parallel with the Mo(112) surface there is very little perturbation of the molecular orbitals relative to the gas phase. (C) 1998 Elsevier Science B.V.
引用
收藏
页码:44 / 50
页数:7
相关论文
共 36 条
  • [1] SEMIEMPIRICAL MOLECULAR-ORBITAL CALCULATIONS .4. SOME METALLOCENES
    ARMSTRONG, AT
    CARROLL, DG
    MCGLYNN, SP
    [J]. JOURNAL OF CHEMICAL PHYSICS, 1967, 47 (03) : 1104 - +
  • [2] MOLECULAR-ORBITAL STUDY OF GROUND AND EXCITED-STATE PROPERTIES OF METALLOCENES OF 1ST-ROW TRANSITION-METAL IONS .1.
    ARMSTRONG, DR
    FORTUNE, R
    PERKINS, PG
    [J]. JOURNAL OF ORGANOMETALLIC CHEMISTRY, 1976, 111 (02) : 197 - 213
  • [3] BAERENDS EJ, 1973, CHEM PHYS LETT, V23, P341
  • [4] THEORETICAL-STUDY OF ELECTRONIC-STRUCTURE OF FERROCENE AND FERRICINIUM - APPLICATION TO MOSSBAUER ISOMER-SHIFTS, IONIZATION-POTENTIALS, AND CONFORMATION
    BAGUS, PS
    WALGREN, UI
    ALMLOF, J
    [J]. JOURNAL OF CHEMICAL PHYSICS, 1976, 64 (06) : 2324 - 2334
  • [5] PHOTOELECTRON-SPECTRA OF METALLOCENES
    CAULETTI, C
    GREEN, JC
    KELLY, MR
    POWELL, P
    VANTILBORG, J
    ROBBINS, J
    SMART, J
    [J]. JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA, 1980, 19 (04) : 327 - 353
  • [6] CONNERADE JP, 1987, NATO ADI SERIES B, V151
  • [7] IONIZATION POTENTIALS OF FERROCENE AND KOOPMANS THEOREM - AB-INITIO LCAO-MO-SCF CALCULATION
    COUTIERE, M
    VEILLARD, A
    DEMUYNCK, J
    [J]. THEORETICA CHIMICA ACTA, 1972, 27 (04): : 281 - &
  • [8] COMPARISON OF THE ELECTRONIC-STRUCTURE OF DISUBSTITUTED FERROCENES
    DOWBEN, PA
    DRISCOLL, DC
    TATE, RS
    BOAG, NM
    [J]. ORGANOMETALLICS, 1988, 7 (02) : 305 - 308
  • [9] DOWBEN PA, 1997, IN PRESS Z PHYSIK CH
  • [10] THE ELECTRONIC-STRUCTURE OF THE CHLOROFERROCENES
    DRISCOLL, DC
    DOWBEN, PA
    BOAG, NM
    GRADE, M
    BARFUSS, S
    [J]. JOURNAL OF CHEMICAL PHYSICS, 1986, 85 (09) : 4802 - 4807