1991
DOI: 10.1103/physrevlett.67.851
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Near edge x-ray-absorption fine-structure determination of alkyl-chain orientation: Breakdown of the ‘‘building-block’’ scheme

Abstract: ln the Letter we reported NEXAFS (near edge x-ray-absorption fine-structure) measurements for different thin films containing long alkyl chains, the analysis of which indicated that the so-called "building-block" scheme commonly used to interpret NEXAFS data for larger molecules fails to describe the angular dependence of the CC resonance at 293.4 eV. We also presented results of ab initio SCF-RHF calculations which supported our experimental conclusions. In the meanwhile, however, we discovered an error in th… Show more

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Cited by 120 publications
(105 citation statements)
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“…Peak ''f'' corresponds to the transition of C 1s of the aliphatic carbons to the C-C * anti-bonding orbitals in both SAMs prepared from alkanethiols 1 or 2. 31 Substitution of electronegative atoms of fluorine and oxygen on aromatic rings induces a partial positive charge on the carbon. which increases the binding energy of the C 1s level.…”
Section: Resultsmentioning
confidence: 99%
“…Peak ''f'' corresponds to the transition of C 1s of the aliphatic carbons to the C-C * anti-bonding orbitals in both SAMs prepared from alkanethiols 1 or 2. 31 Substitution of electronegative atoms of fluorine and oxygen on aromatic rings induces a partial positive charge on the carbon. which increases the binding energy of the C 1s level.…”
Section: Resultsmentioning
confidence: 99%
“…6(a) for tetracontane melted onto silicon, with one sample having been slowly heated to 220 • C over the course of about an hour prior to the measurement, featuring characteristic peaks due to a C-H * bond near 288 eV and a σ * C-C bond near 292.3 eV, in agreement with previous observations. 72 The spectrum for polyethylene deposited on glass, shown in Fig. 6(b), displays these features as well as a small π * peak near 285.3 eV that is characteristic of a C=C double bond.…”
Section: Near Edge X-ray Absorption Fine Structurementioning
confidence: 99%
“…Unlike for OTA, a distinct angular variation of the resonances is observed, as is evident from the spectra and the difference spectrum. The transitions into C-C * and C-H* orbitals exhibit an opposite polarization dependence, since the corresponding molecular orbitals are perpendicular for alkyl chains in an all-trans conformation (36,37). A more quantitative analysis of the angular variation was performed in order to determine the average tilt angle of the alkyl chains.…”
Section: Table 1 Assignment Of the Nexafs Transitions At The C 1s Edgementioning
confidence: 99%