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Covalent attachment of acetonitrile on Si(100) through Si–C and Si–N linkages
Tao, Franklin Feng Wang, Zhong Hai Qiao, Ming Hua Liu, Qin Sim, Wee Sun Xu, Guo Qin
Tao, Franklin Feng
Wang, Zhong Hai
Qiao, Ming Hua
Liu, Qin
Sim, Wee Sun
Xu, Guo Qin
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Abstract
The covalent binding and adsorption states of acetonitrile on Si(100) have been investigated using temperature programmed desorption(TPD),x-ray photoelectron spectroscopy(XPS), high-resolution electron energy loss spectroscopy (HREELS), and density functiontheory(DFT) calculation. XPS and HREELS results show that acetonitrile chemisorbs on Si(100) in a side-on di-σ binding configuration, forming Si–C and Si–N σ bonds. TPD measurements reveal the presence of two desorption states, β1 and β2 with desorption energies of 29.8 and 24.6 kcal mol−1, respectively. Based on DFT calculations, the β1 state is possibly assigned to di-σ bonded acetonitrile on top of a dimer and/or in an in-row bridging chemisorption, while the β2 state is related to acetonitrile bonded in a cross-row bridging configuration.
Description
this is the published version. Copyright 2001 American Institute of Physics
Date
2001
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Publisher
American Institute of Physics
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Keywords
Desorption, Density functional theory, X-ray photoelectron spectroscopy, Adsorption, Bond formation
Citation
Tao, Feng, Zhong Hai Wang, Ming Hua Qiao, Qin Liu, Wee Sun Sim, and Guo Qin Xu. "Covalent Attachment of Acetonitrile on Si(100) through Si–C and Si–N Linkages." The Journal of Chemical Physics J. Chem. Phys. 115.18 (2001): 8563. http://dx.doi.org/10.1063/1.1410388