Light-atom location in adsorbed benzene by experiment and theory
Held G, Braun W, Steinrück HP, Yamagishi S, Jenkins S, King DA (2001)
Publication Type: Journal article, Original article
Publication year: 2001
Journal
Original Authors: Held G., Braun W., Steinrück H.-P., Yamagishi S., Jenkins S.J., King D.A.
Publisher: American Physical Society
Book Volume: 87
Pages Range: 2161021-2161024
Article Number: 216102
Journal Issue: 21
DOI: 10.1103/PhysRevLett.87.216102
Abstract
A study on the determination for the locations of light atoms in CD on Ru was performed using low energy electron diffraction (LEED) and density functional theory (DFT). An upward bending of the C-D bonds of 16° on average was found. The bending was observed to be not uniform but alternated between 9° and 24° for the inequivalent light atoms. The strong buckling behavior was explained in the terms of decreased aromaticity and a distortion of the molecule towards the chair geometry of cyclohexane.
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APA:
Held, G., Braun, W., Steinrück, H.-P., Yamagishi, S., Jenkins, S., & King, D.A. (2001). Light-atom location in adsorbed benzene by experiment and theory. Physical Review Letters, 87(21), 2161021-2161024. https://doi.org/10.1103/PhysRevLett.87.216102
MLA:
Held, Georg, et al. "Light-atom location in adsorbed benzene by experiment and theory." Physical Review Letters 87.21 (2001): 2161021-2161024.
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