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  • 1
    Electronic Resource
    Electronic Resource
    Kinetic study of the reaction of OH with HCl from 240-1055 K (1985)
    New York, NY : Wiley-Blackwell
    International Journal of Chemical Kinetics 17 (1985), S. 1281-1297 
    Details
    ISSN: 0538-8066
    Keywords: Chemistry ; Physical Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Absolute rate coefficients for the reaction of OH with HCl (k1) have been measured as a function of temperature over the range 240-1055 K. OH was produced by flash photolysis of H2O at λ 〉 165 nm, 266 nm laser photolysis of O3/H2O mixtures, or 266 nm laser photolysis of H2O2. OH was monitored by time-resolved resonance fluorescenceor pulsed laser-induced fluorescence. In many experiments the HCl concentration was measured in situ in the slow flow reactor by UV photometry. Over the temperature range 240-363 K the following Arrhenius expression is an adequate representation of the data: k1 = (2.4 ± 0.2) × 10-12 exp[-(327 ± 28)/T]cm3 molecule-1 s-1. Over the wider temperature range 240-1055 K, the temperature dependence of k1 deviates from the Arrhenius form, but is adequately described by the expression k1 = 4.5 × 10-17 T1.65 exp(112/T) cm3 molecule-1 s-1. The error in a calculated rate coefficient at any temperature is 20%.
    Additional Material: 2 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/kin.550171206
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  • 2
    Electronic Resource
    Electronic Resource
    A kinetics study of the reactions of OH with several aromatic and olefinic compounds (1978)
    New York, NY : Wiley-Blackwell
    International Journal of Chemical Kinetics 10 (1978), S. 783-804 
    Details
    ISSN: 0538-8066
    Keywords: Chemistry ; Physical Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The reactions of hydroxyl radicals with eight substituted aromatic hydrocarbons and four olefins were studied utilizing the flash photolysis-resonance fluorescence technique. The rate constants were measured at 298°K using either Ar or He as the diluent gas. The values of the rate constants (k × 1012) in the units of cm3/molec. sec are (a) OH + o-xylene → products: (12.9±3.8), 20 torr He; (13.0±0.3), 20 torr Ar; (12.4±0.1), 200 torr He;(b) OH + m-xylene → products: (15.6±1.4), 3 torr Ar; (19.4±0.8), 20 torr Ar; (21.4±0.2), 20 torr He; (20.3±1.9), 200 torr Ar; (20.6±1.3), 200 Torr He;(c) OH + p-xylene → products: (8.8±1.2), 3 torr Ar; (10.1±1.0), 20 torr He; (10.5±0.6), 200 torr He;(d) OH + ethyl benzene → products: (7.50±0.38), 3 torr He; (7.06±0.26), 20 torr He; (7.95±0.28), 200 torr He;(e) OH + n-propylbenzene → products: (6.40±0.36), 20 torr He; (5.86±0.16), 200 torr He;(f) OH + isopropylbenzene → products: (7.79±0.40), 200 torr He;(g) OH + hexafluorobenzene → products: (0.221±0.020), 20 torr He; (0.219±0.016) 200 torr He;(h) OH + n-propyl pentafluorobenzene → products: (2.52±0.54), 3 torr He; (3.01±0.76), 20 torr He; (3.06±0.24), 200 torr He;(i) OH + propylene → products: (25.6±1.2), 20 torr He; (26.3±1.2), 200 torr He;(j) OH + 1-butene → products: (29.6±1.9), 3 torr He; (29.4±1.4), 20 torr He;(k) OH + cis-2-butene → products: (43.2±4.1), 3 torr He; (42.6±2.5), 20 torr He;(l) OH + tetramethylethylene → products: (56.9±1.3), 20 torr He.
    Additional Material: 15 Tab.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/kin.550100802
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  • 3
    Electronic Resource
    Electronic Resource
    Kinetics of the reaction of C2H5O2 with NO at 295 K (1982)
    New York, NY : Wiley-Blackwell
    International Journal of Chemical Kinetics 14 (1982), S. 183-194 
    Details
    ISSN: 0538-8066
    Keywords: Chemistry ; Physical Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The reaction of C2H5O2 with NO in helium carrier gas at 295 K with [He] = 1.6 × 1017 cm-3 has been studied using a gas flow reactor sampled by a mass spectrometer. Because no parent molecular ion or suitable fragment ion produced by C2H5O2 could be detected, the reaction was followed by measuring the formation of NO2. In so doing, account had to be taken of the small amount of HO2 known to be present in the reaction mixture, which also leads to NO2 on reaction with NO. The rate coefficient for the total reaction of C2H5O2 with NO was found to be (8.9 ± 3.0) × 10-12 cm3/s, and the path which produces NO2 was found to account for at least 80% of all C2H5O2.
    Additional Material: 2 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/kin.550140208
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  • 4
    Electronic Resource
    Electronic Resource
    Tables of rate constants extracted from chemical kinetics and photochemical data for use in stratospheric modeling. Evaluation number 7 (1985)
    New York, NY : Wiley-Blackwell
    International Journal of Chemical Kinetics 17 (1985), S. 1135-1151 
    Details
    ISSN: 0538-8066
    Keywords: Chemistry ; Physical Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: These tables of evaluated rate constants for use in stratospheric modeling have been taken from the most recent report of the NASA Panel that has been periodically producing such reviews. They are reproduced here to make a broader community aware of their existence. This article should NOT be cited, nor should these rate constants be used without consulting the full report. All citations should be to that original report (JPL Publ. 85-37), which contains extensive documentation and discussion of the rationale of the evaluation. Copies may be obtained by requesting JPL Publ. 85-37 from Documentation Services, 111-116B, Jet Propulsion Laboratory, 4800 Oak Grove Drive, Pasadena, CA 91109.
    Additional Material: 2 Tab.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/kin.550171010
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  • 5
    Electronic Resource
    Electronic Resource
    Evaluated kinetic and photochemical data for atmospheric chemistry: Supplement III (1989)
    New York, NY : Wiley-Blackwell
    International Journal of Chemical Kinetics 21 (1989), S. 115-150 
    Details
    ISSN: 0538-8066
    Keywords: Chemistry ; Physical Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Additional Material: 1 Tab.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/kin.550210205
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  • 6
    Electronic Resource
    Electronic Resource
    Determination of propagation and termination rate constants by using an extension to the rotating-sector method: Application to PLPC and DLPC bilayers (1998)
    New York, NY : Wiley-Blackwell
    International Journal of Chemical Kinetics 30 (1998), S. 753-767 
    Details
    ISSN: 0538-8066
    Keywords: Chemistry ; Physical Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: An extension to the rotating-sector method, which is usually applied to determine propagation and termination rate constants, is presented. The analytical treatment developed accounts for the simultaneous presence of a thermal initiation and of a first-order termination process. The applicability of the rotating-sector method is thus extended to situations where the rate in dark is higher than 5% of the rate in the presence of light, and more accurate estimates of the rate constants are obtained than before for any values of the “dark” rate. A previously published experiment on the application of the rotating-sector method to the autoxidation of styrene was reanalyzed. The estimates obtained for the propagation and the termination rate constants were 11% and 19% higher than the previous estimates, respectively. Finally, the improved rotating-sector method was also applied to the experimental determination of propagation (kp) and termination rate constants (2×kt) for both 1-palmitoyl-2-linoleoyl-sn-glycero-3-phosphocholine (PLPC) and 1,2-dilinoleoyl-sn-glycero-3-phosphocholine (DLPC) liposomes. The following results were obtained at 37°C: for PLPC kp =16.6 M-1s-1, and 2×kt=1.27×105 M-1s-1; for DLPC kp(intermolecular)=(13.3-13.9) M-1s-1, kp(intramolecular)=(4.7-5.4) s-1, and 2×kt=(0.99-1.05)×105 M-1s-1. The separation of the intermolecular and intramolecular propagation rate constants for DLPC was made possible both by a special adaptation of the rotating-sector equations to substrates with two oxidizable moieties, and by the experimental determination of the ratio between partially oxidized DLPC molecules (only one acyl is oxidized) and fully oxidized DLPC molecules (both acyls are oxidized). © 1998 John Wiley & Sons, Inc. Int J Chem Kinet 30: 753-767, 1998
    Additional Material: 6 Ill.
    Type of Medium: Electronic Resource
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  • 7
    Electronic Resource
    Electronic Resource
    Experimental and theoretical studies of the effects of hydration on proton exchange equilibria (1991)
    Chichester : Wiley-Blackwell
    Journal of Physical Organic Chemistry 4 (1991), S. 479-484 
    Details
    ISSN: 0894-3230
    Keywords: Organic Chemistry ; Physical Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Physics
    Notes: Theoretical calculations with the ab initio molecular orbital STO-3G basis set on the effect of trihydration on the relative acidities of 3- and 4-substituted phenols, 4-substituted quinuclidinium ions and 4-substituted bicyclo [2.2.2]octylammonium ions are reported. These results are contrasted with calculations on non-hydrated species and compared with results in aqueous solution and in the gas phase. Unlike results for smaller molecules such as substituted acetic acids and methylammonium ions, the solvation effects of three molecules of water are far short of that observed in going from the gas phase to aqueous solution. Reasons for this are discussed in the context of solvent attenuation factors for various molecules.
    Additional Material: 9 Tab.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/poc.610040803
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  • 8
    Electronic Resource
    Electronic Resource
    Oscillations of electrical potential differences across the interface in phase-transfer catalytic systems (1995)
    Chichester : Wiley-Blackwell
    Journal of Physical Organic Chemistry 8 (1995), S. 341-343 
    Details
    ISSN: 0894-3230
    Keywords: Organic Chemistry ; Physical Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Physics
    Notes: Oscillations of electrical potential differences across the liquid-liquid interface in phase-transfer catalyst systems are reported. The occurrence of the oscillations is consistent with the Starks' shuttling mechanism.
    Additional Material: 3 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/poc.610080504
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  • 9
    Electronic Resource
    Electronic Resource
    Similarity in physical organic chemistry: Substituent effects on the intrinsic basicity of 4-substituted pyrazoles (1994)
    Chichester : Wiley-Blackwell
    Journal of Physical Organic Chemistry 7 (1994), S. 657-662 
    Details
    ISSN: 0894-3230
    Keywords: Organic Chemistry ; Physical Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Physics
    Notes: The gas-phase basicities of eight pyrazoles substituted only at position 4 (R4 = H, NO2, F, Cl, CO2C2H5, CH3, NH2, 1-adamantyl) were measured by Fourier transform ion cyclotron resonance. The experimental values were treated in two ways, first by comparing these values with the AM1-calculated proton affinities. Since the correlation was reasonably good [PA(calc.) = -11·3 + 1·063PA(exp.), n = 8, r = 0·984], a set of 17 further 4-substituted pyrazoles and their cations were calculated using the AM1 approximation and their gas-phase basicities were estimated. Second, both the experimental and the AM1-calculated values were considered within the framework of the Taft-Topsom analysis of substituent effects. Comparison of the analyses for pyrazoles and pyridines led to the unexpected result that, in spite of differences in ring size and number of heteroatoms, both systems behave remarkably alike.
    Additional Material: 5 Tab.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/poc.610071203
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  • 10
    Electronic Resource
    Electronic Resource
    Catalytic and computer simulation studies of carbon-sulphur bond cleavage over zeolite-YNCL Communication No. 5768. (1994)
    Chichester : Wiley-Blackwell
    Journal of Physical Organic Chemistry 7 (1994), S. 377-384 
    Details
    ISSN: 0894-3230
    Keywords: Organic Chemistry ; Physical Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Physics
    Notes: N-Substituted carbonimidodithioic acid dimethyl esters, when reacted with an active methylene compound such as nitromethane, undergo carbon-carbon bond formation followed by carbon-sulphur bond cleavage in the presence of zeolite catalysts to give 1-substituted amino-1-methylthio-2-nitroethenes. This carbon-sulphur bond cleavage is facilitated by the presence of rare earth cations in the zeolite-Y framework. The shape selectivity of the zeolite also plays an important role in this cleavage reaction. Force field calculations adopted for the molecules involved in the reaction indicate the geometry and conformational flexibility of these molecules. The computer-simulated model for the zeolite-Y is correlated with the conformation and shape of the reactant and product molecules to explain the variation in yields obtained in the conversion of substituted dimethyl esters.
    Additional Material: 2 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/poc.610070708
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