The C 1s NEXAFS spectrum of benzene below threshold: Rydberg or valence character of the unoccupied σ-type orbitals

Püttner, R.; Kolczewski, Christine; Martins, M.; Schlachter, A. S.; Snell, G.; Sant’Anna, M. M.; Viefhaus, Jens; Hermann, Klaus; Kaindl, G.

doi:10.1016/j.cplett.2004.06.053

Cited by 57 publications

(72 citation statements)

References 25 publications

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“…The remaining signal at 288 eV corresponds to π* (s-p) orbitals, whereas the broader peaks above 290 eV are attributed to transitions from the K shell into σ* molecular orbitals [19,20]. In the NEXAFS data of PCBM, we observe similar features as in that of the C 60 films, but, moreover, there is an additional small shoulder at around 285.1 eV which we assign to the benzene ring [23] in the functional side group of PCBM. The TFY data of all three samples (not shown) look quite similar to the TEY data, just the weak shoulder at around 286.3 eV in the fullerenol spectrum appears more pronounced.…”

Section: Resultssupporting

confidence: 66%

Fullerenol as Probed by Synchrotron X-ray Photoemission and Absorption Spectroscopy

et al. 2011

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We have studied thin films of C 60 , [6,6]-phenyl-C61-butyric acid methyl ester, and fullerenol by Near-Edge X-ray Absorption Fine Structure Spectroscopy at the C1s edge. The advantage of this technique is the sensitivity to unoccupied π states within the sp 2 chemical bond structure. In particular, we focus on the relative intensity of the C1s→π*(p-p) transitions. Upon adding functional groups to the C 60 molecular frame, the intensity of these bands is reduced or almost vanished accompanied by increasing C1s→π*(s-p) transitions. This finding is confirmed by Xray photoemission data in the valence band region where the peaks according to the occupied π states disappeared particularly in the fullerenol films. These data in combination with the quantitative analysis of the C1s core level data suggest that C=C double bonds are broken when binding two OH-groups correlated to a change of the carbon bonding state from sp 2 to sp 3 .

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Section: Resultssupporting

confidence: 66%

Fullerenol as Probed by Synchrotron X-ray Photoemission and Absorption Spectroscopy

et al. 2011

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“…4. The first six resonances are assigned to the π* 1, π* phenyl, π* 2/3, π* 4, and σ* 5 band states [19][20][21]. The CIS spectra at VB states as indicated in the 150 eV spectra of Fig.…”

Section: Resultsmentioning

confidence: 99%

Valence and Conduction Band States of PCBM as Probed by Photoelectron Spectroscopy at Resonant Excitation

2012

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We have studied (6,6)-phenyl C 61 butyric acid methyl ester by near-edge X-ray absorption fine structure and resonant synchrotron radiation X-ray photoelectron spectroscopy. We determine the binding/hybridization character of the participating valence and conduction band states involving π* or σ* empty conduction band states. The analysis of the resonant Auger processes delivers a powerful tool to distinguish σ* and π* states in organic sp 2 hybridized systems. For the σ* states, we find the conventional KLL Auger process creating a C2p 4 final state. However, for the π* features right at the resonance, we identify a novel Auger decay mechanism. We attribute this process to the decay of an excitonic intermediate state with a long lifetime which causes a three-hole (C2p 3 ) final state.

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“…p* out of plane C=C at approximately 285.2 eV and 1s ! [16] In NK-edge NEXAFS spectra ( Figure 4C), unlike g-C 3 N 4 ,b ulk triazole-based C 3 N 5 ,M CN-11 and its graphene hybrids display resonances at 399.1 and 400.2 eV which are attributed to 1s ! [2b] As compared with g-C 3 N 4 ,b ulk triazole-based C 3 N 5 ,M CN-11 and its graphene hybrids present ab lue shift of 1s !…”

Section: Angewandte Chemiementioning

confidence: 99%

“…p* out of plane C=C excitation of graphene at approximately 285.2 eV is split into two peaks at 285.0 and 285.4 eV in the CK-edge NEXAFS spectra of the hybrids,h ighlighting degenerated orbital states of graphene by strong electronic coupling between graphene and carbon nitride. [16] In NK-edge NEXAFS spectra ( Figure 4C), unlike g-C 3 N 4 ,b ulk triazole-based C 3 N 5 ,M CN-11 and its graphene hybrids display resonances at 399.1 and 400.2 eV which are attributed to 1s ! p* NÀC=N and 1s !…”

Section: Angewandte Chemiementioning

confidence: 99%

Ordered Mesoporous C₃N₅ with a Combined Triazole and Triazine Framework and Its Graphene Hybrids for the Oxygen Reduction Reaction (ORR)

et al. 2018

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Mesoporous carbon nitrides (MCN) with C 3 N 4 stoichiometry could find applications in fields ranging from catalysis,sensing, and adsorption-separation to biotechnology. The extension of the synthesis of MCN with different nitrogen contents and chemical structures promises access to aw ider range of applications.H erein we prepare mesoporous C 3 N 5 with acombined triazole and triazine framework via asimple self-assembly of 5-amino-1H-tetrazole (5-ATTZ). We are able to hybridizet hese nanostructures with graphene by using graphene-mesoporous-silica hybrids as at emplate to tune the electronic properties.D FT calculations and spectroscopic analyses clearly demonstrate that the C 3 N 5 consists of 1triazole and 2triazine moieties.T he triazole-based mesoporous C 3 N 5 and its graphene hybrids are found to be highly active for oxygen reduction reaction (ORR) with ah igher diffusionlimiting current density and ad ecreased overpotential than those of bulk g-C 3 N 4 .

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The C 1s NEXAFS spectrum of benzene below threshold: Rydberg or valence character of the unoccupied σ-type orbitals

Cited by 57 publications

References 25 publications

Fullerenol as Probed by Synchrotron X-ray Photoemission and Absorption Spectroscopy

Fullerenol as Probed by Synchrotron X-ray Photoemission and Absorption Spectroscopy

Valence and Conduction Band States of PCBM as Probed by Photoelectron Spectroscopy at Resonant Excitation

Ordered Mesoporous C₃N₅ with a Combined Triazole and Triazine Framework and Its Graphene Hybrids for the Oxygen Reduction Reaction (ORR)

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The C 1s NEXAFS spectrum of benzene below threshold: Rydberg or valence character of the unoccupied σ-type orbitals

Cited by 57 publications

References 25 publications

Fullerenol as Probed by Synchrotron X-ray Photoemission and Absorption Spectroscopy

Fullerenol as Probed by Synchrotron X-ray Photoemission and Absorption Spectroscopy

Valence and Conduction Band States of PCBM as Probed by Photoelectron Spectroscopy at Resonant Excitation

Ordered Mesoporous C3N5 with a Combined Triazole and Triazine Framework and Its Graphene Hybrids for the Oxygen Reduction Reaction (ORR)

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Ordered Mesoporous C₃N₅ with a Combined Triazole and Triazine Framework and Its Graphene Hybrids for the Oxygen Reduction Reaction (ORR)