Thermal intramolecular rearrangement of methyl-1,3,5-cycloheptatrienes in the gas phase. III. Kinetic data for the unimolecular skeletal rearrangement into benzene derivatives and the equilibrium between 1,3,5-cycloheptatriene and bicyclo-[4.1.0]hepta-2,4-diene

1968 ◽  
Vol 90 (1) ◽  
pp. 6-11 ◽  
Author(s):  
Kurt W. Egger
Keyword(s):  
Gas Phase ◽  
Kinetic Data ◽  
Phase Iii ◽  
Intramolecular Rearrangement ◽  
Benzene Derivatives ◽  
Skeletal Rearrangement

Reesterification of ethyl acetate by propanol catalysed by glycidyl methacrylate copolymers containing sulphonic acid groups

1981 ◽  
Vol 46 (8) ◽  
pp. 1941-1946 ◽  
Author(s):  
Karel Setínek
Keyword(s):  
Liquid Phase ◽  
Ethyl Acetate ◽  
Kinetic Study ◽  
Gas Phase ◽  
Nonlinear Regression ◽  
Kinetic Data ◽  
Glycidyl Methacrylate ◽  
Kinetic Equations ◽  
Methacrylate Copolymers ◽  
Styrene Divinylbenzene

A series of differently crosslinked macroporous 2,3-epoxypropyl methacrylate-ethylenedimethacrylate copolymers with chemically bonded propylsulphonic acid groups were used as catalysts for the kinetic study of reesterification of ethyl acetate by n-propanol in the liquid phase at 52 °C and in the gas phase at 90 °C. Analysis of kinetic data by the method of nonlinear regression for a series of equations of the Langmuir-Hinshelwood type showed that kinetic equations which describe best the course of the reaction are the same as for the earlier studied sulphonated macroporous styrene-divinylbenzene copolymers. Compared types of catalysts differ, however, in the dependence of their activity on the degree of crosslinking of the copolymer used.

Novel Peptide Dissociation:  Gas-Phase Intramolecular Rearrangement of Internal Amino Acid Residues

1997 ◽  
Vol 119 (24) ◽  
pp. 5481-5488 ◽  
Author(s):  
Richard W. Vachet ◽  
Barney M. Bishop ◽  
Bruce W. Erickson ◽  
Gary L. Glish
Keyword(s):  
Amino Acid ◽  
Gas Phase ◽  
Intramolecular Rearrangement ◽  
Amino Acid Residues ◽  
Peptide Dissociation

scholarly journals Evaluated kinetic and photochemical data for atmospheric chemistry: Volume II – reactions of organic species

2005 ◽  
Vol 5 (4) ◽  
pp. 6295-7168 ◽  
Author(s):  
R. Atkinson ◽  
D. L. Baulch ◽  
R. A. Cox ◽  
J. N. Crowley ◽  
R. F. Hampson ◽  
...  
Keyword(s):  
Kinetic Parameters ◽  
Gas Phase ◽  
Atmospheric Chemistry ◽  
Kinetic Data ◽  
Photochemical Reactions ◽  
Data Evaluation ◽  
Organic Species ◽  
Summary Sheet

Abstract. This article, the second in the series, presents kinetic and photochemical data evaluated by the IUPAC Subcommittee on Gas Kinetic Data Evaluation for Atmospheric Chemistry. It covers the gas phase and photochemical reactions of Organic species, which were last published in 1999, and were updated on the IUPAC website in late 2002. The article consists of a summary sheet, containing the recommended kinetic parameters for the evaluated reactions, and eight appendices containing the data sheets, which provide information upon which the recommendations are made.

Gas Phase Oxygenation of Benzene Derivatives with O(3P) Atoms Produced by MD of N2O

1988 ◽  
pp. 135-136
Author(s):  
Veronica M. Sol ◽  
Robert Louw ◽  
Peter Mulder
Keyword(s):  
Gas Phase ◽  
Benzene Derivatives

ChemInform Abstract: The Acidity of Chloro-Substituted Benzenes: A Comparison of Gas Phase, ab initio, and Kinetic Data.

ChemInform ◽  
2010 ◽  
Vol 33 (5) ◽  
pp. no-no
Author(s):  
Manfred Schlosser ◽  
Elena Marzi ◽  
Fabrice Cottet ◽  
Heinz H. Bueker ◽  
Nico M. M. Nibbering
Keyword(s):  
Ab Initio ◽  
Gas Phase ◽  
Kinetic Data ◽  
Substituted Benzenes

Rearrangement of the Fulminate Anion (CNO-) to the Cyanate Anion (OCN-). Possible Intermediacy of the Oxazirinyl Anion

1986 ◽  
Vol 39 (6) ◽  
pp. 913 ◽  
Author(s):  
WK Li ◽  
J Baker ◽  
L Radom
Keyword(s):  
Gas Phase ◽  
Electron Correlation ◽  
Basis Set ◽  
Intramolecular Rearrangement ◽  
Molecular Orbital Calculations ◽  
Potential Well ◽  
Electron Loss ◽  
Diffuse Function ◽  
Moller Plesset ◽  
High Level

The rearrangement of the fulminate anion (CNO-) to the cyanate anion (OCN-) has been examined by using high-level ab initio molecular orbital calculations which include a diffuse-function-augmented polarization basis set and electron correlation incorporated at the full fourth-order Moller-Plesset level (MP4). The reaction is predicted to be exothermic by 275 kJ mol-1. Our best calculations indicate theinvolvement of a metastable cyclic oxazirinyl anion intermediate. However, this lies in an extremely shallow potential well and, in contrast to the predictions of semiempirical calculations, is unlikely to have more than a fleeting existence. The fulminate and cyanate anions are calculated to be stable with respect to electron loss and stable with respect to intramolecular rearrangement; accordingly, both should be observable gas-phase species.

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