Rate constants of reactions involving SiH4 as an association product from quantum Rice–Ramsperger–Kassel calculations
Literature Information
A. Dollet, S. de Persis, F. Teyssandier
Quantum Rice Ramsperger Kassel (QRRK) calculations are carried out to calculate the pressure-dependent rate constants of reactions involving SiH4 as an association product. It is shown that good estimates of pressure-dependent rate constants can be obtained from QRRK in spite of the very poor treatment of the activated complex in this simple theory. However, possible errors arising from energy truncation must be avoided and reliable kinetic data must be fitted in order to select the final value of the adduct's mean vibrational frequency. The results obtained in this work are satisfactorily compared with the experimental data available and with previous RRKM calculations. Parameterized forms of the pressure-dependent rate constants are derived for several bath gases, which can be used over the whole pressure and temperature range of interest for chemical vapour deposition (CVD) and related processes.
Related Literature
Promoting laccase activity towards non-phenolic substrates: a mechanistic investigation with some laccase–mediator systems
Paola Baiocco, Anna Maria Barreca, Maura Fabbrini, Carlo Galli, Patrizia Gentili
DOI: 10.1039/B208951C
Singlet-energy transfer in quadruple hydrogen-bonded oligo(p-phenylenevinylene)perylene-diimide dyads
Edda E. Neuteboom, Edwin H. A. Beckers, Stefan C. J. Meskers, E. W. Meijer, René A. J. Janssen
DOI: 10.1039/B208824J
An alternative route for the synthesis of hydroxylated pillar[5]arene-based amphiphiles
Talal F. Al-Azemi, Mickey Vinodh, Fatemeh H. Alipour, Abdirahman A. Mohamod
DOI: 10.1039/C8OB02074D
Fluorinated triazole-containing sphingosine analogues. Syntheses and in vitro evaluation as SPHK inhibitors
Margarita Escudero-Casao, Adrià Cardona, Raúl Beltrán-Debón, Yolanda Díaz, M. Isabel Matheu, Sergio Castillón
DOI: 10.1039/C8OB01867G
Fe-Catalyzed tandem cyclization for the synthesis of 3-nitrofurans from homopropargylic alcohols and Al(NO3)3·9H2O
Ting Wang, Yong Jiang, Yanyan Wang, Rulong Yan
DOI: 10.1039/C8OB01184B
Metal-free synthesis of N-sulfonylformamidines via skeletal reconstruction of sulfonyl oximonitriles
Feng Li, Ziyan Wu, Jingjing Wang, Siyuan Zhang, Jiaxin Yu, Zhen Yuan, Jingya Liu, Renzeng Shen, Yao Zhou
DOI: 10.1039/D1QO01665B
Aminative Umpolung cyclization for synthesis of chiral exocyclic vicinal diamines
Feng Liu, Guoqing Zhao, Weiqi Cai, Dongfang Xu, Baoguo Zhao
DOI: 10.1039/C8OB02000K
Synthesis of CID-cleavable protein crosslinking agents containing quaternary amines for structural mass spectrometry
Susan E. Hagen, Kun Liu, Yafei Jin, Lolita Piersimoni, Hollis D. Showalter
DOI: 10.1039/C8OB00329G
Cross coupling reactions of organozinc iodides with solid-supported electrophiles: synthesis of 4-substituted benzoic and 3-substituted (E)- and (Z)-propenoic acids and amides
Leslie J. Oates, Richard F. W. Jackson, Michael H. Block
DOI: 10.1039/B208632H
Synthesis, chiroptical properties and absolute configuration of spiro[1,3-benzodioxole-methanocyclooct[b]indole]
Eugenius Butkus, Julė Malinauskienė, Sigitas Stončius
DOI: 10.1039/B208422H
You might also like
Is 6-(3-Fluorophenyl)picolinic acid (CAS: 887982-40-3) safe?
6-(3-Fluorophenyl)picolinic acid is generally considered safe for laboratory use...
What industries use (3R)-3-Pyrrolidinol (CAS: 2799-21-5)?
(3R)-3-Pyrrolidinol is used in the pharmaceutical industry as a precursor for dr...
What precautions should be taken when handling (4R,5R)-4,5-Diethoxycarbonyl-2,2-dimethyldioxolane (CAS: 59779-75-8)?
When handling (4R,5R)-4,5-Diethoxycarbonyl-2,2-dimethyldioxolane (CAS: 59779-75-...
How is 1-(6-Chloroimidazo[1,2-b]pyridazin-3-yl)ethanone (CAS: 90734-71-7) typically synthesized?
1-(6-Chloroimidazo[1,2-b]pyridazin-3-yl)ethanone is often synthesized via a mult...
What is the market or research trend for N-Ethyl-3,4-dimethylbenzylamine (CAS: 39180-83-1)?
The market for N-Ethyl-3,4-dimethylbenzylamine (CAS: 39180-83-1) remains steady,...
What is Tert-butyl 3-(pyrrolidin-1-yl)azetidine-1-carboxylate (CAS: 1019008-21-9)?
Tert-butyl 3-(pyrrolidin-1-yl)azetidine-1-carboxylate is a chemical compound wit...
What regulatory guidelines apply to 1-Bromo-3-chloro-2,4-dimethoxybenzene (CAS: 1228956-93-1)?
1-Bromo-3-chloro-2,4-dimethoxybenzene (CAS: 1228956-93-1) falls under the classi...
Is 8-Bromo-2-methyl-3,4-dihydroisoquinolin-1(2H)-one (CAS: 1368622-07-4) safe?
The safety of 8-Bromo-2-methyl-3,4-dihydroisoquinolin-1(2H)-one (CAS: 1368622-07...
Is Benzyl [(3S)-2,6-dioxo-3-piperidinyl]carbamate (CAS: 22785-43-9) safe?
Benzyl [(3S)-2,6-dioxo-3-piperidinyl]carbamate is generally safe when handled wi...
How should 1-{[4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]sulfonyl}pyrrolidine (CAS: 928657-21-0) be stored?
1-{[4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]sulfonyl}pyrrolidine s...
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.














