In situ UPS study of the formation of FeSi films from cis-Fe(SiCl 3)2(CO)4

Wei Huang; Christian Erich Zybill; Lan Luo; Wolfgang Hieringer; Hsing Hua Huang

doi:10.1021/om980550u

In situ UPS study of the formation of FeSi films from cis-Fe(SiCl ₃)₂(CO)₄

Wei Huang, Christian Erich Zybill, Lan Luo, Wolfgang Hieringer, Hsing Hua Huang

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Abstract

The chemical vapor deposition (CVD) reaction of cis-Fe(SiCl ₃)₂(CO)₄ to form iron silicide, FeSi, has been investigated by in situ photoelectron (PE) spectroscopy in the surface-controlled regime up to 600°C. The experimental data provide evidence for SiCl₄ elimination. The reaction is assumed to occur at the surface via adsorbed silylene complex intermediates. A density functional theory (DFT) calculation approximated for the gas phase shows the elimination of SiCl₄ to be endothermic by 15.0 kcal mol^-1. The mechanism considered in the calculations involves Cl transfer from Si1 to Si2 of cis-Fe(SiCl₃)₂(CO)₄ accompanied by Fe-Si2 bond fission and formation of [Fe(=SiCl₂)(CO)₄] (calculated energy of activation 47 kcal mol^-1, Fe=Si bond dissociation energy 52 kcal mol^-1).

Original language	English
Pages (from-to)	5825-5829
Number of pages	5
Journal	Organometallics
Volume	17
Issue number	26
DOIs	https://doi.org/10.1021/om980550u
State	Published - 21 Dec 1998
Externally published	Yes

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@article{c097d47cc99e461c8d05da59f187d87f,

title = "In situ UPS study of the formation of FeSi films from cis-Fe(SiCl 3)2(CO)4",

abstract = "The chemical vapor deposition (CVD) reaction of cis-Fe(SiCl 3)2(CO)4 to form iron silicide, FeSi, has been investigated by in situ photoelectron (PE) spectroscopy in the surface-controlled regime up to 600°C. The experimental data provide evidence for SiCl4 elimination. The reaction is assumed to occur at the surface via adsorbed silylene complex intermediates. A density functional theory (DFT) calculation approximated for the gas phase shows the elimination of SiCl4 to be endothermic by 15.0 kcal mol-1. The mechanism considered in the calculations involves Cl transfer from Si1 to Si2 of cis-Fe(SiCl3)2(CO)4 accompanied by Fe-Si2 bond fission and formation of [Fe(=SiCl2)(CO)4] (calculated energy of activation 47 kcal mol-1, Fe=Si bond dissociation energy 52 kcal mol-1).",

author = "Wei Huang and Zybill, {Christian Erich} and Lan Luo and Wolfgang Hieringer and Huang, {Hsing Hua}",

year = "1998",

month = dec,

day = "21",

doi = "10.1021/om980550u",

language = "英语",

volume = "17",

pages = "5825--5829",

journal = "Organometallics",

issn = "0276-7333",

publisher = "American Chemical Society",

number = "26",

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TY - JOUR

T1 - In situ UPS study of the formation of FeSi films from cis-Fe(SiCl 3)2(CO)4

AU - Huang, Wei

AU - Zybill, Christian Erich

AU - Luo, Lan

AU - Hieringer, Wolfgang

AU - Huang, Hsing Hua

PY - 1998/12/21

Y1 - 1998/12/21

N2 - The chemical vapor deposition (CVD) reaction of cis-Fe(SiCl 3)2(CO)4 to form iron silicide, FeSi, has been investigated by in situ photoelectron (PE) spectroscopy in the surface-controlled regime up to 600°C. The experimental data provide evidence for SiCl4 elimination. The reaction is assumed to occur at the surface via adsorbed silylene complex intermediates. A density functional theory (DFT) calculation approximated for the gas phase shows the elimination of SiCl4 to be endothermic by 15.0 kcal mol-1. The mechanism considered in the calculations involves Cl transfer from Si1 to Si2 of cis-Fe(SiCl3)2(CO)4 accompanied by Fe-Si2 bond fission and formation of [Fe(=SiCl2)(CO)4] (calculated energy of activation 47 kcal mol-1, Fe=Si bond dissociation energy 52 kcal mol-1).

AB - The chemical vapor deposition (CVD) reaction of cis-Fe(SiCl 3)2(CO)4 to form iron silicide, FeSi, has been investigated by in situ photoelectron (PE) spectroscopy in the surface-controlled regime up to 600°C. The experimental data provide evidence for SiCl4 elimination. The reaction is assumed to occur at the surface via adsorbed silylene complex intermediates. A density functional theory (DFT) calculation approximated for the gas phase shows the elimination of SiCl4 to be endothermic by 15.0 kcal mol-1. The mechanism considered in the calculations involves Cl transfer from Si1 to Si2 of cis-Fe(SiCl3)2(CO)4 accompanied by Fe-Si2 bond fission and formation of [Fe(=SiCl2)(CO)4] (calculated energy of activation 47 kcal mol-1, Fe=Si bond dissociation energy 52 kcal mol-1).

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U2 - 10.1021/om980550u

DO - 10.1021/om980550u

M3 - 文章

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SN - 0276-7333

VL - 17

SP - 5825

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JO - Organometallics

JF - Organometallics

IS - 26

ER -

In situ UPS study of the formation of FeSi films from cis-Fe(SiCl ₃)₂(CO)₄

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