Benzene on Pd(110): The first example of nonparallel adsorption

Netzer, H.; Rangelov, G.; Rosina, G.; Saalfeld, H.; Neumann, M.; Lloyd, D. R.

doi:10.1103/physrevb.37.10399

Cited by 68 publications

(42 citation statements)

References 14 publications

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“…An estimation of the heat of desorption for low coverage--assuming first order kinetics in the framework of Redhead's approximation with a pre-exponential factor of 1 · 10 13 s À1 [44]--resulted in values of 51 kJ mol À1 for Pd 2 Sn/ Pd (1 1 1), 84 kJ mol À1 for Pd 3 Sn/Pd (1 1 1), and 131 kJ mol À1 for Pd (1 1 1). The activation energy of 51 kJ mol À1 obtained for benzene desorption from the Pd 2 Sn surface alloy is already very close to the enthalpy of benzene sublimation of 44 kJ mol À1 suggesting a physisorption or very weak chemisorption of benzene on this surface [45].…”

Section: Benzene On Pdmentioning

confidence: 85%

The adsorption of benzene on Pd(111) and ordered Sn/Pd(111) surface alloys

et al. 2004

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Section: Benzene On Pdmentioning

confidence: 85%

The adsorption of benzene on Pd(111) and ordered Sn/Pd(111) surface alloys

et al. 2004

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“…Angle-resolved photoemission from this surface, Pd(110), has also provided unusual results for benzene, as we have just notedsthe bonding of benzene on Pd(110) has been suggested to bond in a tilted configuration (opposite to most benzene bonding configurations). 43 …”

Section: Discussionmentioning

confidence: 99%

Preferential Bonding Orientations of Ferrocene on Surfaces

Waldfried¹,

Welipitiya²,

Hutchings³

et al. 1997

J. Phys. Chem. B

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We have measured the molecular orientation and bonding of adsorbed ferrocene on Ag(100) and Cu(100) using angle-resolved photoemission spectroscopy (ARPES). The results for molecular adsorption on Ag(100) are complemented by high-resolution electron energy loss spectroscopy (HREELS) measurments and ab initio calculations for the ferrocene vibrational modes. The measurements indicate that ferrocene adsorbs on Ag(100) with the molecular axis perpendicular to the surface. In contrast, as indicated using ARPES and scanning tunneling microscopy, ferrocene adsorbed on the Cu(100) surface is oriented with the molecular axis parallel with the surface. Model calculations allow us to assign all of the observed vibrational modes for the weakly bound molecular ferrocene on Ag(100)-both dipole and impact scattering modes have been observed.

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“…While the symmetry of an isolated benzene molecule is D 6h , the symmetry of a tilted benzene on Pd(110), as proposed by Netzer et al [17], cannot be higher than C s . Vibrational spectra of this system indicate that the symmetry of adsorbed benzene is C s or lower [23].…”

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confidence: 92%

“…According to the UPS study by Netzer et al [17], it has been proposed that the molecular plane of adsorbed benzene in the c͑4 3 2͒ structure is slightly tilted ͑ϳ10 ± 20 ± ͒ from the surface in the ͓001͔ direction, keeping a vertex of benzene hexagon towards ͓110͔. While the symmetry of an isolated benzene molecule is D 6h , the symmetry of a tilted benzene on Pd(110), as proposed by Netzer et al [17], cannot be higher than C s .…”

mentioning

confidence: 99%

“…Weiss and Eigler [7] have reported three different STM images of isolated benzene molecules on Pt(111) at 4 K, which are ascribed to benzene molecules on three different adsorption sites [5]. According to ultraviolet photoemission spectroscopy (UPS) [13][14][15][16][17] and inverse photoemission spectroscopy (IPES) [18,19] measurements of adsorbed benzene on transition metal surfaces, the highest occupied molecular orbital (HOMO) derived states are observed at 4-5 eV below E F and the lowest unoccupied molecular orbital (LUMO) related states are observed at 2-3 eV above E F , respectively. It has been supposed that these states have additional LDOS near E F owing to resonance broadening [3,20], and thus STM can probe benzene molecules as a protrusion.…”

mentioning

confidence: 99%

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Direct Observation of Molecule-Substrate Antibonding States near the Fermi Level in Pd(110)-c(4×2)-Benzene

et al. 1997

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Evidence for a molecule-substrate hybridized state near the Fermi level E F is presented for Pd(110)-c͑4 3 2͒-benzene. Observed images of adsorbed benzene near E F by scanning tunneling microscopy consist of two elongated protrusions separated by a single nodal depression with C 2 symmetry. The existence of a benzene derived state near E F is also observed by metastable atom electron spectroscopy, and it is assigned to the antibonding states between the 1e 1g molecular orbital of benzene and the Pd 4d orbitals by ab initio molecular orbital calculations. [S0031-9007 (97)04504-3] PACS numbers: 68.35.Bs, 82.65.MyScanning tunneling microscopy (STM) images of adsorbed molecules on solid surfaces could provide valuable information on the adsorption sites, the orientation of individual molecules with respect to the substrate lattice, the periodicity of ordered molecular structures as well as defects and domains [1]. The observed internal structures are not directly related to the position of atoms, but to the electronic structure of adsorbed molecules and surfaces. It is known that the local density of states (LDOS) near the Fermi level E F has a significant contribution to STM images [2][3][4]. In addition, observed STM images reflect the symmetry of both adsorption sites and molecular orbitals; in particular, the shape of the orbitals is of great importance [5]. Thus, in order to identify or discriminate among adsorbed species, the origin of observed STM images, i.e., the LDOS near E F should be thoroughly characterized.Adsorbed benzene on transition metal surfaces has been studied by both the STM experiments [6-9] and theoretical calculations [5,10,11]. Ohtani et al. have first reported high-resolution STM images of benzene molecules in the Rh(111)-͑3 3 3͒ ͑C 6 H 6 1 2CO͒ surface [6]. Their STM images show individual benzene molecules as threefold ringlike features, which reflects the fact that the benzene molecules adsorb at hcp-type threefold hollow sites on Rh(111) [12]. Weiss and Eigler [7] have reported three different STM images of isolated benzene molecules on Pt(111) at 4 K, which are ascribed to benzene molecules on three different adsorption sites [5]. According to ultraviolet photoemission spectroscopy (UPS) [13][14][15][16][17] and inverse photoemission spectroscopy (IPES) [18,19] measurements of adsorbed benzene on transition metal surfaces, the highest occupied molecular orbital (HOMO) derived states are observed at 4-5 eV below E F and the lowest unoccupied molecular orbital (LUMO) related states are observed at 2-3 eV above E F , respectively. It has been supposed that these states have additional LDOS near E F owing to resonance broadening [3,20], and thus STM can probe benzene molecules as a protrusion. However, the local electronic structure of adsorbed benzene on transition metal surfaces near E F is not fully understood yet, because conventional UPS and IPES observe several surface layers and adsorbates, and thus it is difficult to probe the LDOS above the surface selectively.In this Letter, we ...

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Benzene on Pd(110): The first example of nonparallel adsorption

Cited by 68 publications

References 14 publications

The adsorption of benzene on Pd(111) and ordered Sn/Pd(111) surface alloys

The adsorption of benzene on Pd(111) and ordered Sn/Pd(111) surface alloys

Preferential Bonding Orientations of Ferrocene on Surfaces

Direct Observation of Molecule-Substrate Antibonding States near the Fermi Level in Pd(110)-c(4×2)-Benzene

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