Investigation of the Reactions of Tetramethylsilane and Trimethylchlorosilane with O(<sup>3</sup>P) in the Gas Phase

Buchta, Chr.; Stucken, D.-V.; Vollmer, Judith; Wagner, H. Gg.

doi:10.1524/zpch.1992.177.part_1.001

Cited by 6 publications

(5 citation statements)

References 8 publications

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“…As shown in Figure 6A, there are two sets of kinetic parameters for R2((CH 3 ) 4 Si + O ⇌ (CH 3 ) 3 Si(CH 2 ) + OH) based on experimental measuring. Ding and Marshall 44 used the flash photolysis/resonance fluorescence technique to measure the rate constants of R2 over the temperature range 380–700 K. Buchta et al 45 . measured the rate constants of R2 in a discharge flow system with mass spectrometric detection over the temperature range of 298–773 K. The experimental results from Ding and Marshall 44 and Buchta et al 45 .…”

Section: Resultsmentioning

confidence: 99%

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Theoretical study on the kinetics and thermodynamics of H‐atom abstractions from tetramethylsilane‐related species

Zhu

Zhou

2021

Int J of Chemical Kinetics

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Theoretical kinetics and thermochemistry investigations on the H‐atom abstraction reactions by H and O atoms and OH and HO2 radicals from Si−C−O‐containing species such as Si(CH3)4, Si(CH3)3(OH), Si(CH3)2(OH)2, and Si(CH3)(OH)3 have been carried out in this work. The geometry, vibrational frequencies, and hindrance potential for each species are calculated at the B3LYP/6‐31G(2df,p) level of theory with the single‐point energies calculated at the G4 level of theory. The composite methods G3 and G4 are utilized to derive enthalpies of formation at 0 K by the atomization reaction methodology. ΔHf(298 K), S(298 K), and Cp(T) are calculated by using the statistical thermodynamics method. Conventional transition state theory is used over a wide temperature range (298.15−2000 K) for H‐atom abstraction reactions by H, O, and HO2 radicals from the species mentioned above, and variational transition state theory is used for H‐atom abstraction reactions by the OH radical. The kinetic and thermodynamic parameters based on high‐level theoretical calculations are compared with the literature data. Reactivity comparison between the similar hydrocarbons and silicon‐organic compounds for H‐atom abstractions is explored. A large difference exists between these two different systems when H‐atom abstractions are on hydroxyl sites.

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Section: Resultsmentioning

confidence: 99%

“…Arrhenius plot of R4 and R9 total rate constants. (A) black line: theory (G4), present work; red line: Ding and Marshall44 ; blue line: Buchta et al45 (B) black line: theory (G4), present work; red line: estimated, Reed 9 ; (C) black line: theory (G4), present work; red line: optimization, Janbazi et al11 …”

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confidence: 84%

Theoretical study on the kinetics and thermodynamics of H‐atom abstractions from tetramethylsilane‐related species

Zhu

Zhou

2021

Int J of Chemical Kinetics

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“…Due to the lack of information regarding the electron impact dissociation cross section of ClTMS, the cross section of the dissociative ionization of tetramethylsilane (TMS) from Basner et al (1996) has been used instead. This choice is justified by the fact that both molecules present similar ionization energies and similar rate coefficients for the reaction with atomic oxygen (Buchta et al 1992), but it must be noted that the trends observed are independent of the particular value of the cross section used. The rate coefficient for the interaction of ClTMS with atomic oxygen has been taken from Buchta et al (1992).…”

Section: Application Of the Model To The Pecvd Deposition Of Thin Filmsmentioning

confidence: 99%

“…This choice is justified by the fact that both molecules present similar ionization energies and similar rate coefficients for the reaction with atomic oxygen (Buchta et al 1992), but it must be noted that the trends observed are independent of the particular value of the cross section used. The rate coefficient for the interaction of ClTMS with atomic oxygen has been taken from Buchta et al (1992).…”

Section: Application Of the Model To The Pecvd Deposition Of Thin Filmsmentioning

confidence: 99%

“…Modelling the plasma chemistry of a O 2 /precursor mixture can be very complicated, due to the number of species that can be created and also the lack of knowledge about the cross sections and rate coefficients of the reactions involved. This is the case of ClTMS, for which information is available just for a few reactions (Buchta et al 1992). In this work, we have tried to get further knowledge on how the presence of the precursor can affect the discharge using a first order approximation, so that we have only studied the influence that the insertion of the precursor has on the electron energy and electron temperature, neglecting the effect of the fragments that appear as a result of the precursor fragmentation.…”

Section: Influence Of the Cltms In The Dischargementioning

confidence: 99%

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Global model of a low pressure ECR microwave plasma applied to the PECVD of SiO₂thin films

Yanguas‐Gil¹,

Cotrino²,

González-Elipe³

2007

J. Phys. D: Appl. Phys.

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A global model for electronegative plasmas in a pressure range of 0.1–100 Pa is used to investigate the dissociation of the precursor in O2/SiCl(CH3)3 discharges. Microwave power is fed to the plasma by an annular waveguide ring with slotted line radiators on the inner side (SLAN) that is operated at 2.45 GHz. The modelling of the ECR plasma discharge and its application to the plasma enhanced chemical vapour deposition (PECVD) of silicon oxide films are reported. In the case of an oxygen discharge, theoretical values of the main plasma parameters (electron density and temperature and atomic oxygen population) are presented as a function of both pressure and electromagnetic power. The model results are compared with the experimental results obtained by optical emission spectroscopy, obtaining reasonably good agreement. The application of the model to the study of the PECVD of SiO2 film from O2/SiCl(CH3)3 mixtures has enabled us to determine that the fragmentation of the SiCl(CH3)3 molecule takes place mainly by electron impact dissociation, while the growth rate seems to be controlled by oxidation processes. Finally the influence of the precursor in the discharge has been studied. According to the model, in a first order approximation the insertion of the precursor causes an increase in the electron density due to the lower ionization threshold of the SiCl(CH3)3 molecule.

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Investigation of the reactions of the ethylchlorosilanes, tetraethylsilane and triethylsilanol with O(³P)

Buchta

Stucken

Vollmer

et al. 1994

Ber Bunsenges Phys Chem

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The reactions of tetraethylsilane, triethylchlorosilane, diethyldichlorosilane, ethyltrichlorosilane and triethylsilanol with atomic oxygen in the ground state [O(3P)] have been measured in a discharge flow system with mass spectrometric detection. All measurements were performed in an excess of 0-atoms in the temperature range of 298 K < T< 773 K. The following Arrhenius expressions for the bimolecular rate constants were obtained:The primary reaction paths are briefly discussed.

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Investigation of the Reactions of Tetramethylsilane and Trimethylchlorosilane with O(³P) in the Gas Phase

Cited by 6 publications

References 8 publications

Theoretical study on the kinetics and thermodynamics of H‐atom abstractions from tetramethylsilane‐related species

Theoretical study on the kinetics and thermodynamics of H‐atom abstractions from tetramethylsilane‐related species

Global model of a low pressure ECR microwave plasma applied to the PECVD of SiO₂thin films

Investigation of the reactions of the ethylchlorosilanes, tetraethylsilane and triethylsilanol with O(³P)

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Investigation of the Reactions of Tetramethylsilane and Trimethylchlorosilane with O(3P) in the Gas Phase

Cited by 6 publications

References 8 publications

Theoretical study on the kinetics and thermodynamics of H‐atom abstractions from tetramethylsilane‐related species

Theoretical study on the kinetics and thermodynamics of H‐atom abstractions from tetramethylsilane‐related species

Global model of a low pressure ECR microwave plasma applied to the PECVD of SiO2thin films

Investigation of the reactions of the ethylchlorosilanes, tetraethylsilane and triethylsilanol with O(3P)

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Investigation of the Reactions of Tetramethylsilane and Trimethylchlorosilane with O(³P) in the Gas Phase

Global model of a low pressure ECR microwave plasma applied to the PECVD of SiO₂thin films

Investigation of the reactions of the ethylchlorosilanes, tetraethylsilane and triethylsilanol with O(³P)