The Detection of O=SiCl2 as an Intermediate During the Combustion Process of SiCl4 with O2

Junker, Markus; Wilkening, Andreas; Binnewies, Michael; Schnöckel, Hansgeorg

doi:10.1002/(sici)1099-0682(199909)1999:9<1531::aid-ejic1531>3.3.co;2-2

Cited by 8 publications

(20 citation statements)

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“…The calculated heats of formation and standard entropies are listed in Table 2. Junker et al [10] calculated the heat of formation of SiCl 2 O in a similar way, and reported Ϫ440 kJ/mol for the heat of formation and 302.4 J for the standard entropy, which is in reasonable agreement with our calculations. The temperature dependency of heat capacities can be represented in the standard form…”

Section: Calculation Of Thermochemical Datasupporting

confidence: 90%

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The Combustion of SiCl₄ in Hot O₂/H₂ Flames

Hannebauer

Menzel

2003

Zeitschrift anorg allge chemie

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A simple kinetic model describing the molecular gas phase reactions during the formation of fumed silica (AEROSIL ) was developed. The focus was on the formation of molecular SiO 2 , starting from SiCl 4 , hydrogen and oxygen. Wherever available, kinetic and thermodynamic parameters were taken from the literature. All other parameters are based on quantum chemical calculations. From these data, an adiabatic model for the combustion reaction has been developed. It was found that a significant amount of molecular SiO 2 forms after about 0.1 and 0.6 ms at Die Verbrennung von SiCl 4 in heissen O 2 /H 2-Flammen Inhaltsübersicht. Zur Beschreibung der molekularen Reaktionen in der Gasphase während der Herstellung von pyrogenem Siliciumoxid (AEROSIL ) wird ein einfaches kinetisches Modell entwikkelt. Gegenstand der Arbeiten ist die Bildung von molekularem SiO 2 , ausgehend von SiCl 4. Kinetische und thermodynamische Parameter, die in der Literatur nicht zur Verfügung stehen, werden mit Hilfe von quantenmechanischen Methoden berechnet. Im Rah

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Section: Calculation Of Thermochemical Datasupporting

confidence: 90%

“…It can be expected that many intermediate species will occur during the combustion process. For instance, Junker et al detected silaphosgene (OϭSiCl 2 ) when SiCl 4 is brought to reaction with oxygen at high temperatures [10].…”

Section: Introductionmentioning

confidence: 99%

The Combustion of SiCl₄ in Hot O₂/H₂ Flames

Hannebauer

Menzel

2003

Zeitschrift anorg allge chemie

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“…This experiment supports the results from the mass spectrum as SiCl 4 has clearly been formed (615 cm À1 ) and new Si-O bands can be seen. The bands at $1100 cm À1 are not at a high enough wavenumber to be assigned to the silicon-oxygen double bond of the OSiCl 2 monomer 11,12 and the broad nature Fig. 1 The region 1700-400 cm À1 of the transmission IR spectrum of a nitrogen matrix (12 K) containing the reaction products of Si 2 Cl 6 + N 2 O after passing through a pyrolysis zone heated to 643 K. of the 1145 cm À1 band, would suggest that one or more oligomers with Si-O single bonds have been formed.…”

Section: Resultsmentioning

confidence: 99%

Reactions of SiCl2 with N2O, NO and O2

Goldberg

Ogden

Almond

et al. 2003

Phys. Chem. Chem. Phys.

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The thermal route to dichlorosilylene by pyrolysis of Si 2 Cl 6 has been investigated using both mass spectrometry and matrix isolation techniques. The formation of SiCl 2 in the gas phase was confirmed by employing a known '' trapping '' agent, namely buta-1,3-diene, which gave the product 1,2-dichloro-1-silacyclopent-3-ene. Dichlorosilylene was then reacted with N 2 O and NO. The observed products in the mass spectrum from the N 2 O reaction were SiCl 2 O and its polymers and N 2 . On reacting SiCl 2 with NO, SiCl 2 O and its polymers, Cl 2 and N 2 O were all observed. Infrared spectra of argon matrices supported these findings from mass spectrometry. A mechanism is proposed for this reaction based on these observations involving the intermediacy of cyclo-Cl 2 SiO 2 and is supported by ab initio calculations at the MP2 and G3 levels. The reaction between SiCl 2 and O 2 has also been investigated. The products seen in this case were SiCl 2 O and Cl 2 . Ab initio calculations again suggest that cyclo-Cl 2 SiO 2 is involved, and a chain mechanism seems the most likely route to Cl 2 formation. The calculations lead to DH f (SiO 2 ,g) ¼ À276 AE 6 kJ mol À1 .

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“…Finally, IR spectroscopy has been used to monitor the formation of SiOCl 2 during the oxygen combustion of SiCl 4 ; the optimal conditions for its formation have been determined and the SiOCl radical ruled out as a signi¢cant intermediate in the process. 93 As usual, nitrogen^oxygen systems have proved to be exceptionally fruitful in 1999. Hydroxynitrene, HON, has been prepared for the ¢rst time, by the reaction of H atoms with a NO/Ar mixture at 10 K. 94 Though it is actually the minor product of this reaction, the major species, HNO, may be converted through to it via photolysis at 313 nm.…”

Section: Oxygenmentioning

confidence: 99%

7 Oxygen, sulfur, selenium and tellurium

Kelly

2000

Annu. Rep. Prog. Chem., Sect. A

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The Detection of O=SiCl2 as an Intermediate During the Combustion Process of SiCl4 with O2

Cited by 8 publications

References 0 publications

The Combustion of SiCl₄ in Hot O₂/H₂ Flames

The Combustion of SiCl₄ in Hot O₂/H₂ Flames

Reactions of SiCl2 with N2O, NO and O2

7 Oxygen, sulfur, selenium and tellurium

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The Detection of O=SiCl2 as an Intermediate During the Combustion Process of SiCl4 with O2

Cited by 8 publications

References 0 publications

The Combustion of SiCl4 in Hot O2/H2 Flames

The Combustion of SiCl4 in Hot O2/H2 Flames

Reactions of SiCl2 with N2O, NO and O2

7 Oxygen, sulfur, selenium and tellurium

Contact Info

Product

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The Combustion of SiCl₄ in Hot O₂/H₂ Flames

The Combustion of SiCl₄ in Hot O₂/H₂ Flames