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Near edge x-ray-absorption fine-structure determination of alkyl-chain orientation: Breakdown of the ‘‘building-block’’ scheme

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Grunze,  M.
Cellular Biophysics, Max Planck Institute for Medical Research, Max Planck Society;

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Citation

Hähner, G., Kinzler, M., Wöll, C., Grunze, M., Scheller, M., & Cederbaum, L. (1991). Near edge x-ray-absorption fine-structure determination of alkyl-chain orientation: Breakdown of the ‘‘building-block’’ scheme. Physical Review Letters, 67(7), 851-854. doi:10.1103/PhysRevLett.67.851.


Cite as: https://hdl.handle.net/21.11116/0000-0001-9621-0
Abstract
The orientation of hydrocarbon chains deposited on surfaces has been studied by near edge x-ray-absorption fine structure (NEXAFS). The so-called ‘‘building-block’’ scheme, which is generally used to predict angular dependences of NEXAFS resonances, is found to be inadequate for C-C σ* resonances in larger molecules, in contrast to previous work [D. A. Outka, J. Stöhr, J. P. Rabe, J. D. Swalen, and H. H. Rotermund, Phys. Rev. Lett. 59, 1321 (1987)]. Using the results of ab initio electronic structure calculations consistent results for several systems containing long hydrocarbon chains could be obtained.