Single-photon ionization of C60- and C70-fullerene with synchrotron radiation: determination of the ionization potential of C60

Vries, J. de; Steger, H.; Kamke, B.; Menzel, Christoph; Weisser, B.; Kamke, W.; Hertel, I. V.

doi:10.1016/0009-2614(92)90001-4

Cited by 195 publications

(55 citation statements)

References 24 publications

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“…We can see that the VIP and VEA of C 60 cage are close to the corresponding experimental values of 7.58 [44] and 2.67 eV [45]. Meanwhile, the VIP and VEA of GeH 4 @C 60 obtained using the same level of theory are calculated to be 7.47 and 2.17 eV, respectively.…”

Section: Relative Stabilities and Electronic Propertiessupporting

confidence: 53%

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A computational study of the endohedral fullerene GeH4@C60

Sheng

Zhang

2009

Struct Chem

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The structures, stabilities, and electronic properties of the endohedral fullerene GeH 4 @C 60 have been systematically studied by using the hybrid DFT-B3PW91 functional in conjunction with 6-31G(d) basis sets. Our calculated results show that the GeH 4 molecule is more compact in the center of the C 60 cage and exists in molecular form inside the fullerene. The Zero-Point and BSSE corrected binding energy of GeH 4 @C 60 is -1.77 eV. The calculated HOMO-LUMO energy gap, the vertical ionization potentials (VIP) and vertical electron affinities (VEA) are similar to that of C 60 cage. It is indicated that GeH 4 @C 60 also seems to be very stable species. Natural population analysis on the GeH 4 @C 60 reveals that the central GeH 4 only gain -0.06 charges from the C 60 cage. Additionally, the vibrational frequencies and active infrared intensities of GeH 4 @C 60 are also discussed.

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Section: Relative Stabilities and Electronic Propertiessupporting

confidence: 53%

“…[44] and Ref. [45], respectively and LUMO are associated with the carbon cage other than the GeH 4 site. This suggests that the energy gap between HOMO and LUMO has close relations with the interaction of the carbon cage.…”

Section: Relative Stabilities and Electronic Propertiesmentioning

confidence: 99%

A computational study of the endohedral fullerene GeH4@C60

Sheng

Zhang

2009

Struct Chem

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“…This ionized analyte is not likely to result as a major fragment from dissociation of the metal ion complexed analyte. Although the ionization energy of the analyte is not known, it can be assumed that it is not substantially different from the ionization energy of C 60 itself (7.6 eV) [29] which is substantially higher than the ionization energies of the alkali metals [30] . As a result, charge transfer from the metal ion to the analyte is unlikely to occur.…”

Section: Cation Attachment To Fullerene Derivativesmentioning

confidence: 99%

Alkali cation attachment to derivatized fullerenes studied by matrix-assisted laser desorption/ionization

Fati

Leeman

Vasil’ev

et al. 2002

J. Am. Soc. Mass Spectrom.

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The complexation of alkali metal ions with amphiphilic fullerene derivatives has been investigated by matrix-assisted laser desorption/ionization (MALDI) time-of-flight (TOF) mass spectrometry. The formation of analyte ions occurs via two competing mechanisms including electron transfer from matrix-derived ions and metal ion attachment. The interplay of these processes has been examined by laser fluence dependent sample activation and by variation of the target composition. The attachment of metal ions has been established as the gentler and thus more efficient route towards the formation of intact analyte ions. Investigations into the metal ion complexation have been conducted to reveal the reactivity order of the alkali metals in these reactions and to elucidate the influence of structural differences of the analytes, as well as to unravel effects caused by the anionic counter ion of the metal. The experimental data have been derived by two complementary approaches. Competing reactants were either studied simultaneously, so that the product distribution would provide direct insight into the reactivity pattern, and/or product distributions were obtained in a large variety of separate experiments and normalized for reliable comparison. It has been found that the extent to which complexation is observed follows the charge density order of the alkali metal ions. The structural features of the fullerene-attached ligands were of profound influence on the attachment of the metal ion, inducing enhanced selectivity for the complexation with less reactive metals. The metal ion attachment is reduced with the use of smaller anionic counter ions. Rationalization of these findings is provided within the framework of the mechanisms of ion formation in

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“…It is to be noted that unlike in the case of the photoabsorption [4,29] or the electron energy loss spectroscopy (EELS) studies [5,32], in the case of ionization through ion impact, the kinetic energy of the electrons will be reduced by an amount equal to the ionization potential of C 60 . The first ionization potential of the C 60 is 7.6 eV (in the vapor phase) [45]. However, there are several states below the highest occupied molecular orbital (HOMO, h u ) up to an energy of ∼12 eV and beyond, in the valence shell [46].…”

Section: A Electron Energy Dependence Of Ddcsmentioning

confidence: 99%

Angle-differential observation of plasmon electrons in the double-differential cross-section spectra of fast-ion-induced electron ejection fromC60

2015

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We report on the measurement of double-differential distribution of soft electron emission from C 60 fullerene, induced by a fast-moving Coulomb field of 76 MeV energy bare fluorine ions. A broad "plasmon-electron" peak, riding on the Coulomb-ionization continuum, is observed due to the deexcitation of the giant dipole plasmon resonance state in C 60 . The angular distribution of the plasmon electrons goes through a dip around 90• , which is contrary to that observed in ion-atom collisions measured in situ, indicating the alignment of the induced dipole moment along the projectile beam direction. A model based on the photoelectron angular distribution which is modified due to the ion-induced postcollisional interaction provides an excellent agreement with the observed asymmetric distribution. The distribution smoothly changes from a dip at 90• to a peak with the variation of ejected electron energy indicating transition from a collective plasmon behavior of the whole system to a single ion-atom interaction. The single-differential cross section was also derived, which preserves the signature of the collective excitation.

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Single-photon ionization of C60- and C70-fullerene with synchrotron radiation: determination of the ionization potential of C60

Cited by 195 publications

References 24 publications

A computational study of the endohedral fullerene GeH4@C60

A computational study of the endohedral fullerene GeH4@C60

Alkali cation attachment to derivatized fullerenes studied by matrix-assisted laser desorption/ionization

Angle-differential observation of plasmon electrons in the double-differential cross-section spectra of fast-ion-induced electron ejection fromC60

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