Bonding configurations of cyclopropane on Ni(111) and Cu(111) surfaces

Wang, J.; McBreen, Peter H.

doi:10.1016/s0039-6028(97)00702-4

Cited by 11 publications

(12 citation statements)

References 21 publications

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“…Compared to the gas phase, c-C 3 H 6 on all the metals exhibits small downward mode-dependent shifts of the transition energies. 17,19,21 On Pt(111), the shifts (parentheses in Table 1) range from a negligible 8 cm -1 for ring breathing to a more substantial 70 cm -1 for the C-H stretches. Thus, while the coupling of c-C 3 H 6 to Pt(111) is relatively weak, it is interesting that the C-H stretching modes weaken much more than any of the others.…”

Section: Resultsmentioning

confidence: 99%

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Chemistry of Cyclopropane on Pt(111): Thermal, Electron, and Photon Activation

et al. 1999

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The thermal, electron, and photon-induced chemistry of cyclopropane, c-C3H6, adsorbed on Pt(111) at 100 K has been studied. The thermal chemistry is simple. Adsorption is saturable, no multilayer accumulates, and thermal desorption exhibits only c-C3H6 with one peak at 144 K. High-resolution electron energy loss spectra results indicate that c-C3H6 adsorbs with the plane of the ring tilted away from the surface normal. The electron-induced chemistry is more complex. Irradiation with 50 eV electrons activates dissociation of adsorbed c-C3H6 at 100 K, and there are thermally activated reactions during subsequent temperature-programmed desorption. The total cross-section for destruction of c-C3H6 is 8.2 (±0.2) × 10-17 cm2. For low electron fluences, <1016 cm-2, the chemistry involved is describable in terms of C−C bond breaking to open the ring and form metallacyclic species, some of which promptly lose H to form allylic (C3H5) moieties. In subsequent thermally activated reaction-limited processes, propylene, methane, ethylene, and hydrogen desorb. Only carbon remains above 800 K. Activation with 6.4 eV (193 nm) photons is also effective, but the cross section for loss of c-C3H6 is nearly 4 orders of magnitude lower than that for electron irradiation.

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Section: Resultsmentioning

confidence: 99%

“…Both π-allyl and n-propyl species have been proposed as being responsible for propylene formation. 26,34,35 UHV surface science studies of c-C 3 H 6 on Ru, 21 Ni, 17 and Cu, 20,36 but not Pt(111), have been reported. Results on Cu-(111) and Cu(110) 20,37 are related to the work reported here.…”

Section: Introductionmentioning

confidence: 99%

Chemistry of Cyclopropane on Pt(111): Thermal, Electron, and Photon Activation

et al. 1999

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“…1 The JT splitting electronic states resulted from these distortions form conical intersections at the equilibrium geometry of the undistorted configuration, and therefore cause nonadiabatic transitions during nuclear vibrations of the molecule. [2][3][4][5] Since JT effect may deduce some fascinating phenomena, it has been an active topic in organic chemistry, 6-8 surface science, 9,10 and solid state physics. [11][12][13] Cyclopropane, a simple and small molecule with high D 3h symmetry in ground state, exhibits strong JT effect in the ionization of its highest occupied molecular orbital ͑HOMO͒ 3eЈ and has been an appropriate object to study the nature of JT effect in isolated molecule.…”

Section: Introductionmentioning

confidence: 99%

Electron momentum spectroscopy study of Jahn–Teller effect in cyclopropane

Chen

Shan

et al. 2009

The Journal of Chemical Physics

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The binding energy spectra of cyclopropane in energy range of 9-19 eV have been measured by the high resolution (e, 2e) spectrometer with 0.5 eV energy resolution. The individual electron momentum distributions for the outer valence orbitals including the two Jahn-Teller splitting components for the highest occupied molecular orbital 3e(') have been obtained. Compared with the results of high level quantum chemistry calculations, the observed different intensities of the experimental momentum profiles for the two Jahn-Teller splitting components have been phenomenologically explained, showing the influences caused by the change in molecular geometry at the instant of ionization from doubly degenerate 3e(') orbital on the electron momentum distributions. In addition, the controversial ordering of the two outer valence orbitals 3a(1)(') and 1a(2)(") has also been assigned unambiguously.

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“…In related studies of the adsorption of cyclic and linear alkanes on metal surfaces using reflection-absorption infrared spectroscopy (RAIRS) and high-resolution electron energy loss (HREEL) spectroscopy, unusual lowered frequency C-H vibrational bands (called soft vibrational modes) were detected. [15][16][17][18][19][20][21] Such bands were characteristic of physisorbed alkanes on the surface in ''flat-on'' structures with the molecular plane formed by carbon atoms parallel to the surface. Theoretical and experimental analysis of origin of soft bands revealed the importance of dipoleimage dipole induced by the metal in C-HÁ Á Ámetal contacts 20 and a small degree of charge transfer from the metal to the adsorbed molecule.…”

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confidence: 99%

“…Hydrogen bonding type interactions between the C-H group and the metal were also used as an explanation for mode softening for cyclohexane adsorbed at Ni, Pt, and Cu. [17][18][19] IRRAS studies of long-chain n-alkane (tetratetracontane, n-C 44 H 90 ) adsorbed at Ag(111) and Au(111) surfaces revealed softened modes at 2814 and 2817 cm À1 , respectively. 20,26 The softening of the modes was explained by the electromagnetic interaction between the induced dipole of the C-H group and the image dipole in the metal.…”

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confidence: 99%

SERS observation of soft C–H vibrational mode of bifunctional alkanethiol molecules adsorbed at Au and Ag electrodes

Razmutė-Razmė

Kuodis

Eicher‐Lorka

et al. 2010

Phys. Chem. Chem. Phys.

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An unusually low frequency (near 2820 cm(-1)) C-H stretching band of methylene groups was detected using the SERS technique at the initial stage of formation of self-assembled monolayers on Au and Ag substrates from bifunctional alkanethiol molecules containing indole and phenol ring terminal groups. Based on the sensitivity of the band parameters to the nature of the substrate, potential and temperature, the observed band was attributed to the vibration of -CH(2) groups directly contacting the metal surface.

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Bonding configurations of cyclopropane on Ni(111) and Cu(111) surfaces

Cited by 11 publications

References 21 publications

Chemistry of Cyclopropane on Pt(111): Thermal, Electron, and Photon Activation

Chemistry of Cyclopropane on Pt(111): Thermal, Electron, and Photon Activation

Electron momentum spectroscopy study of Jahn–Teller effect in cyclopropane

SERS observation of soft C–H vibrational mode of bifunctional alkanethiol molecules adsorbed at Au and Ag electrodes

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