ALBERT

All Library Books, journals and Electronic Records Telegrafenberg

X
feed icon rss

Your email was sent successfully. Check your inbox.

An error occurred while sending the email. Please try again.

Proceed reservation?

Export
Filter
  • General Chemistry  (6,129)
  • Physical Chemistry  (1,121)
  • Wiley-Blackwell  (7,250)
  • Blackwell Publishing Ltd
  • 1990-1994  (7,250)
Collection
Keywords
Publisher
  • Wiley-Blackwell  (7,250)
  • Blackwell Publishing Ltd
Years
Year
  • 1
    Electronic Resource
    Electronic Resource
    Study of initial- and transition-state solvation in the solvolysis of tert-butyl halides in alcohols from infinite dilution activity coefficients (1993)
    Chichester : Wiley-Blackwell
    Journal of Physical Organic Chemistry 6 (1993), S. 133-138 
    Details
    ISSN: 0894-3230
    Keywords: Organic Chemistry ; Physical Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Physics
    Notes: The Gibbs energies of activation of the solvolytic reactions of tert-butyl halides (chloride, bromide and iodide) in eight mono-alcohols and eight di-alcohols were dissected into contributions from the initial state and transition state. The unified approach proposed by Abraham was applied and the various factors making up the overall solvent effect in both states were identified and compared. To perform this study, the Gibbs energies of transfer of the initial state were calculated using the infinite dilution activity coefficient values of the solutes in the solvents, γ∞. These values were determined from the UNIFAC group-contribution method, with the modified Flory-Huggins equation in the combinatorial term and with group interaction parameters from the Parameter Table exclusively based on experimental γ∞ data reported in the literature. It is concluded that solvent polarizability and polarity-HBD acidity and cavity effects during the activated process are mainly due to transition-state contributions.
    Additional Material: 5 Tab.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/poc.610060302
    Location Call Number Expected Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 2
    Electronic Resource
    Electronic Resource
    [4] Metacyclophane: STO-3G molecular structure, strain energy and CNDO/S—Cl electronic transition energies (1993)
    Chichester : Wiley-Blackwell
    Journal of Physical Organic Chemistry 6 (1993), S. 163-170 
    Details
    ISSN: 0894-3230
    Keywords: Organic Chemistry ; Physical Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Physics
    Notes: The molecular structure of [4] metacyclophane is optimized at the ab initio STO-3G SCF level and a genuine minimum is located. In the STO-3G structure the benzene ring is less bent and geometrically distorted than in the previously reported MNDO structure. Although some bond alternation is calculated for the carbon-carbon bond lengths of the bent benzene ring, their values still fall in the range of highly delocalized compounds. Despite the fact that the STO-3G strain energy [SE(tot.)] is larger than the corresponding MNDO strain energy, the distribution of SE(tot.) over the bent benzene ring [SE(bb.)] and the oligomethylene bridge [SE(br.)] is similar. To facilitate the hitherto unsuccesful identification of [4] metacyclophane, its electronic transition energies were calculated with CNDO/S-CI using the STO-3G geometry as input geometry. The reliability of the CNDO/S-CI results was assessed by a comparison of calculated and experimental electronic transition energies for p- and, m-xylene, [5] para- and [5] metacyclophane and [4] paracyclophane following the same approach.
    Additional Material: 2 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/poc.610060307
    Location Call Number Expected Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 3
    Electronic Resource
    Electronic Resource
    Kinetics and mechanism of electron transfer reactions of aquo-thallium(III) and coordinated thallium(III). Reduction of thallium(III) and chlorothallium(III) complexes by L-ascorbic acid in aqueous acid medium (1993)
    Chichester : Wiley-Blackwell
    Journal of Physical Organic Chemistry 6 (1993), S. 179-186 
    Details
    ISSN: 0894-3230
    Keywords: Organic Chemistry ; Physical Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Physics
    Notes: The stoichiometry of the reaction of TIIII with ascorbic acid (H2A) in the presence and absence of chloride ion conforms to TIIII + H2A 〉 TII + 2H+ + A. where A is dehydroascorbic acid. The reaction exhibits complex kinetics and the reactivity of various chlorothallium (III) species decreases in the order of [TIOH]2+ 〉 TI3+ 〉 [TICI]2+ 〉 [TICI2]+ 〉 TICI3 〉 [TICI4]-. The mass balance relationship was employed to calculate the equilibrium concentration of the chloride ion for evaluation of the rate constants.
    Additional Material: 3 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/poc.610060309
    Location Call Number Expected Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 4
    Electronic Resource
    Electronic Resource
    IUPAC Commission on Physical Organic Chemistry (1993)
    Chichester : Wiley-Blackwell
    Journal of Physical Organic Chemistry 6 (1993), S. 193-194 
    Details
    ISSN: 0894-3230
    Keywords: Organic Chemistry ; Physical Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Physics
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/poc.610060311
    Location Call Number Expected Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 5
    Electronic Resource
    Electronic Resource
    Theoretical studies of substituent effects on thermal eliminations of aryl ethyl carbonates and S-aryl O-ethyl thiocarbonatesDetermination of Reactivity by MO Theory. Part 82. (1993)
    Chichester : Wiley-Blackwell
    Journal of Physical Organic Chemistry 6 (1993), S. 215-222 
    Details
    ISSN: 0894-3230
    Keywords: Organic Chemistry ; Physical Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Physics
    Notes: Substituent effects on the thermal elimination reactions of carbonates and thiocarbonates were investigated MO theoretically using the AM1 method. For both substrates, an electron-withdrawing group is found to facilitate the decomposition. A two-step process is favoured by carbonates, whereas one- and two-step processes can compete in the pyrolysis of thiocarbonates. The ability to transmit substituent effect is greater with oxygen (carbonates) than with sulphur (thicarbonates) in contrast to the experimental results of Taylor and co-workers. Modelling studies with replacement of the phenyl ring with a vinyl group are found to be justified in this type of work.
    Additional Material: 9 Tab.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/poc.610060404
    Location Call Number Expected Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 6
    Electronic Resource
    Electronic Resource
    Radical reactions of epoxides. 2.For Part 1, see Ref. 1. intramolecular competition between cyclopropylmethyl and oxiranylmethyl radical ring-opening rearrangementsInitial results presented at the 46th Northwest Regional Meeting of the American Chemical Society, LaGrande, OR, 1991. Taken from the Thesis of K. W. Krosley.2 (1993)
    Chichester : Wiley-Blackwell
    Journal of Physical Organic Chemistry 6 (1993), S. 228-232 
    Details
    ISSN: 0894-3230
    Keywords: Organic Chemistry ; Physical Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Physics
    Notes: The erythro-thioimidazole precursor to the cyclopropyloxiranylmethyl radical has been prepared. Treatment with 7-19 equiv. of triphenyltin hydride at 70°C gave only 3-cyclopropylprop-2-en-1-ol, the product of epoxide ring opening. No product in which the cyclopropyl ring had opened was observed. Kinetic analysis allowed the assignment of a lower limit for the rate of oxiranylcarbinyl radical rearrangements of 1 × 1010 s-1 at this temperature.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/poc.610060406
    Location Call Number Expected Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 7
    Electronic Resource
    Electronic Resource
    Calorimetric study of human serum albumin in water-dioxane mixtures (1993)
    Chichester : Wiley-Blackwell
    Journal of Physical Organic Chemistry 6 (1993), S. 251-253 
    Details
    ISSN: 0894-3230
    Keywords: Organic Chemistry ; Physical Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Physics
    Notes: The calorimetric isotherm of water sorption by solid human serum albumin (HSA) was measured in water-dioxane mixtures. This isotherm has been successfully described at low water contents in the solvent within the framework of the presented model. The adsorption equilibrium constant and the monolayer formation energy were estimated from this model. The interaction enthalpies of solid HSA with the solvent in water-rich mixtures do not differ essentially from the solution enthalpy of HSA in water. This means that the solvent water content may be sufficient for the intermolecular interactions of HSA suspended in a water-organic mixture to be similar to those in aqueous protein solution.
    Additional Material: 2 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/poc.610060409
    Location Call Number Expected Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 8
    Electronic Resource
    Electronic Resource
    Crystal and moecular structure of N-nitro-N-methyl-p-nitroaniline: Analysis of substituent effects on the ring geometry and estimation of the Hammett substituent constant for the N-methylnitramino group (1993)
    Chichester : Wiley-Blackwell
    Journal of Physical Organic Chemistry 6 (1993), S. 257-260 
    Details
    ISSN: 0894-3230
    Keywords: Organic Chemistry ; Physical Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Physics
    Notes: The crystal and molecular structure of N-nitro-N-methyl-p-nitroaniline was solved with good precision: R = 0·058 and average estimated standard deviation for bond lengths = 0·003 Å. Analysis of the geometry reveals that the NO2 attached to the N atom is strongly conjugated. Application of the HOSE model to its geometry and to geometries of 12 other para-substituted nitrobenzenes yields good linear regressions between canonical structure weights and Hammett σ values by interpolation, σ for the N(Me)NO2 group is estimated to 0·36.
    Additional Material: 2 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/poc.610060502
    Location Call Number Expected Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 9
    Electronic Resource
    Electronic Resource
    The Marcus cross relation for hydrogen-transfer reactions (1993)
    Chichester : Wiley-Blackwell
    Journal of Physical Organic Chemistry 6 (1993), S. 281-286 
    Details
    ISSN: 0894-3230
    Keywords: Organic Chemistry ; Physical Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Physics
    Notes: The Marcus cross relation provides a tool to calculate cross rates from the corresponding identity rates and the equilibrium constant. Assumptions made in deriving the Marcus cross relation and conclusions which can be drawn from agreement or disagreement between experimental and calculated cross rates are discussed. For a small variation in identity rate constants, agreement between experimental and calculated cross rates are discussed. For a small variation in identity rate constants, agreement between experimental and calculated cross rates simply means that the rate constant of a hypothetical thermoneutral cross reaction has a value within the range covered by the identity rates. Whether or not this value corresponds to the mean value of logarithmic identity rate constants can only be checked for a large variation in identity rates. Therefore, a newly defined index M is used to relate the difference in experimental and calculated logarithmic rate constants to the variation in the logarithmic identity rates. Provided that the Marcus cross relation is not obeyed, this indicates non-additivity of kinetic parameters. Applying this analysis to protontransfer reactions between different transition metal acids and between 9-alkylflourenes and (9-alkylfluorenyl)lithium shows that claims about agreement or disagreement of experimental rate constants with the rate constants calculated by means of the Marcus cross relation have to be revised in part.
    Additional Material: 2 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/poc.610060505
    Location Call Number Expected Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 10
    Electronic Resource
    Electronic Resource
    Hydrogen-bond basicity of nitriles (1993)
    Chichester : Wiley-Blackwell
    Journal of Physical Organic Chemistry 6 (1993), S. 302-306 
    Details
    ISSN: 0894-3230
    Keywords: Organic Chemistry ; Physical Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Physics
    Notes: A thermodynamic hydrogen-bond basicity scale, pKHB, and a spectroscopic hydrogen-bond basicity scale, Δν(OH), were measured which permitted the construction of the solute hydrogen-bond basicity scale, β2H, for 71 nitriles embracing a wide range of structures from trichloroacetonitrile to cyanamides. Field, resonance, and polarizability contributions of the X substituents to the hydrogen-bond basicity of XCN compounds were established. Steric effects do not contribute to the hydrogen-bond basicity of nitriles.
    Additional Material: 2 Tab.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/poc.610060508
    Location Call Number Expected Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
Close ⊗
This website uses cookies and the analysis tool Matomo. More information can be found here...