A full dimensional ab initio direct trajectory study on the ionization dynamics of SiH4
Literature Information
Hiroto Tachikawa
Ab initio MO and direct ab initio trajectory calculations have been applied to the ionization processes of SiH4 in order to shed light on the reaction mechanism of SiH4+ which plays an important role in plasma dry etching processes. The calculations showed that two reaction channels, I and II, were concerned with the decomposition pathways from the vertical ionized state of SiH4. The intermediates for channels I and II were expressed schematically by SiH3+–H and H2–SiH2+, respectively. The lifetime of the intermediate complex in channel I (SiH3+–H) was negligibly short, suggesting that the reaction proceeds via a direct mechanism. On the other hand, the intermediate complex H2–SiH2+ has a longer lifetime than SiH3+–H. 35% of the total available energy was partitioned into the relative translocation energy in channel I, whereas it was 8% in channel II. Vibrational- and rotational-excitation of H2 was found in channel II. The mechanism of decomposition of SiH4+ was discussed on the basis of the theoretical results.
Recommended Journals

Russian Journal of Applied Chemistry

Current Opinion in Solid State & Materials Science

Crystallography Reports

Saudi Pharmaceutical Journal

Organic Process Research & Development

Russian Journal of Organic Chemistry

Acta Materialia

Journal of Saudi Chemical Society

Russian Journal of General Chemistry

Nature Medicine
Related Literature
Controlled peptide coated nanostructures via the self-assembly of functional peptide building blocks
Xiao-Ding Xu, Jing-Xiao Chen, Han Cheng, Xian-Zheng Zhang, Ren-Xi Zhuo
DOI: 10.1039/C2PY20299A
pH and enzymatic double-stimuli responsive multi-compartment micelles from supra-amphiphilic polymers
Chao Wang, Yuetong Kang, Kai Liu, Zhibo Li, Zhiqiang Wang, Xi Zhang
DOI: 10.1039/C2PY20334K
Thermoformed fluoropolymer tubing for in-line mixing
Haomiao Zhang, Yi Shen, Andrea Adamo, Klavs F. Jensen
DOI: 10.1039/C8RE00112J
Detailed kinetics of substituted phenolic species in pyrolysis bio-oils
Matteo Pelucchi, Carlo Cavallotti, Alberto Cuoci, Tiziano Faravelli, Alessio Frassoldati, Eliseo Ranzi
DOI: 10.1039/C8RE00198G
OpenFlowChem – a platform for quick, robust and flexible automation and self-optimisation of flow chemistry
Yang Bai, Antonio José Expósito
DOI: 10.1039/C8RE00046H
A statistical approach dealing with multicollinearity among predictors in microfluidic reactor operation to control liquid-phase oxidation selectivity
Kaushik Sivaramakrishnan, Yucheng Wu, Arno de Klerk, Neda Nazemifard
DOI: 10.1039/C8RE00134K
Synthesis, liquid crystalline properties, and lithium complexes of vinyl polymers with cyclic pendants containing ethylene oxide units
Xue Mei, Jie Zhang, Zhihao Shen, Xinhua Wan
DOI: 10.1039/C2PY20098H
Intensification of esterification through emulsification: isolation of dilute low molecular weight carboxylic acids
Andreas Toth, Susanne Lux, Daniela Painer, Matthäus Siebenhofer
DOI: 10.1039/C8RE00194D
Synthesis, application and kinetic modeling of CeOx–Si–CoMo catalysts for the hydrodesulfurization of dibenzothiophene
Abdulkadir Tanimu, Sagir Adamu, Khalid Alhooshani
DOI: 10.1039/C8RE00330K
You might also like
What regulatory guidelines apply to 6-Bromo-2-methylimidazo[1,2-a]pyrimidine (CAS: 1111638-05-1)?
6-Bromo-2-methylimidazo[1,2-a]pyrimidine (CAS: 1111638-05-1) falls under various...
Are there alternatives to 1-Pyrrolidineethanol, β-methyl-α-phenyl-, (αS,βR) (CAS: 123620-80-4) in synthesis?
While there are no direct alternatives, similar compounds like 1-Pyrrolidineetha...
Is 4-Methyl-2,6-bis(2-methyl-2-propanyl)phenyl methylcarbamate (CAS: 1918-11-2) safe?
4-Methyl-2,6-bis(2-methyl-2-propanyl)phenyl methylcarbamate (CAS: 1918-11-2) is ...
How should 2-(3-Bromo-4-fluorophenyl)-1,3-dioxolane (CAS: 77771-04-1) be stored?
2-(3-Bromo-4-fluorophenyl)-1,3-dioxolane (CAS: 77771-04-1) should be stored in a...
What are the physical and chemical properties of 4,5,6,7-Tetrahydro-1H-indazole hydrochloride (CAS: 18161-11-0)?
4,5,6,7-Tetrahydro-1H-indazole hydrochloride is a white crystalline solid with a...
What is (2R)-1-Methoxy-3-phenyl-2-propanamine (CAS: 59919-07-2)?
(2R)-1-Methoxy-3-phenyl-2-propanamine is a chiral organic compound with the CAS ...
What industries use Ethyl 1-(1-phenylethyl)-1H-imidazole-5-carboxylate (CAS: 56649-47-9)?
Ethyl 1-(1-phenylethyl)-1H-imidazole-5-carboxylate is used in various industries...
What regulatory guidelines apply to 4-[(1E,3S)-1-(4-Hydroxyphenyl)-1,4-pentadien-3-yl]phenol (CAS: 17676-24-3)?
4-[(1E,3S)-1-(4-Hydroxyphenyl)-1,4-pentadien-3-yl]phenol (CAS: 17676-24-3) falls...
What industries use (S)-3-Amino-5-phenylpentanoic acid hydrochloride (CAS: 331846-97-0)?
(S)-3-Amino-5-phenylpentanoic acid hydrochloride is primarily used in the pharma...
How is 7-methoxy-1-benzothiophene-2-carboxylic acid (CAS: 88791-07-5) typically synthesized?
7-Methoxy-1-benzothiophene-2-carboxylic acid is typically synthesized by reactin...
Source Journal
Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.

![Benzeneacetic acid, 2-[(2,6-dichlorophenyl)amino]-, compd. with 1-pyrrolidineethanol (1:1) structure Benzeneacetic acid, 2-[(2,6-dichlorophenyl)amino]-, compd. with 1-pyrrolidineethanol (1:1) structure](https://static.chemtradehub.com/structs/119/119623-66-4-5301.webp)


