서울대학교 외국학술지지원센터(FRIC)

서울대학교 외국학술지지원센터(FRIC)는 국내 모든 연구자에게 자연과학 분야 원문복사 서비스를 무료로 제공하고 있습니다.

CURRENT CONTENTS/Chemistry

Journal of Physical Organic Chemistry v.24 n.4 2011

seoulfric 2011. 4. 6. 11:17


ISSN 0894-3230

  1. Short Communications

    1. Biphenylene: stabilization or destabilization? (pages 263–266)

      Ilie Fishtik

      Article first published online: 23 MAR 2011 | DOI: 10.1002/poc.1751

      Benzoannelation significantly increases the stability of cyclobutadiene. As a result, biphenylene is a stable, aromatic species.

  2. Research Articles

    1. C[BOND]H hydrogen bonding: 3. Hammett correlations for phenylacetonitriles and tetrafluorobenzenes with HMPA (pages 267–273)

      John P. Lorand

      Article first published online: 23 MAR 2011 | DOI: 10.1002/poc.1740

      Equilibrium constants for C[BOND]H H[BOND]bonding of two series of compounds with HMPA are correlated with Hammett σ values. The results are consistent with both electrostatic attraction in H[BOND]bonding, and involvement of the C[BOND]H σ* orbital.

    2. Solvatochromism as an efficient tool to study N,N-dimethylamino- and cyano-substituted π-conjugated molecules with an intramolecular charge-transfer absorption (pages 274–281)

      Filip Bureš, Oldřich Pytela, Milan Kivala and François Diederich

      Article first published online: 23 MAR 2011 | DOI: 10.1002/poc.1744

      Electronic absorption spectra of 12 systematically chosen charge-transfer D-π-A push-pull systems featuring electron-withdrawing CN groups, electron-donating N(CH3)2 groups, and various π-conjugated backbones have been measured in 32 solvents. The solvent polarizability and the solvent cavity size proved to be the most crucial factors affecting the position of λmax. The most important characteristics of D-π-A molecules concerning the solvatochromism are the energy of LUMO, the permanent dipole moment, the COSMO area, the COSMO volume, the number of donors/acceptors, and the length of the π-conjugated path.

    3. Nucleophilicity parameters for strong nucleophiles in dimethyl sulfoxide. A direct alternative to the s(E + N) equation (pages 282–291)

      T. William Bentley

      Article first published online: 23 MAR 2011 | DOI: 10.1002/poc.1747

      A nucleophilicity scale (N″′) is defined for 34 strong nucleophiles (e.g. carbanions and amines) and is linked to two previously-defined nucleophilicity scales (N′ and N′′) including 96 nucleophiles. The unified N′′scale spans 1022in rate constant, whereas the floatingN scale spans 32 orders of magnitude.

    4. C[BOND]H bond activation of ethylene by bare neutral palladium and platinum atoms: a theoretical investigation (pages 292–298)

      Tao Hong Li, Chuan Ming Wang and Xiao Guang Xie

      Article first published online: 23 MAR 2011 | DOI: 10.1002/poc.1748

      In the reaction of Pt with ethylene, triplet-singlet surface crossing was suggested to occur in the region where Pt forms π-complex with ethylene to lead the reaction to the energetically more favorable singlet surfaces.

    5. How glucosylation triggers physical–chemical properties of curcumin: an experimental and theoretical study (pages 299–310)

      Rois Benassi, Erika Ferrari, Sandra Lazzari, Francesca Pignedoli, Ferdinando Spagnolo and Monica Saladini

      Article first published online: 23 MAR 2011 | DOI: 10.1002/poc.1750

      A theoretical conformational study on glycosyl curcuminoids is performed. In order to correlate their predicted spectroscopic properties with IR, UV-vis and NMR experimental data we extended the theoretical study on electronic properties in different solvents (H2O, MeOH, ACN, DMSO).

    6. Kinetics and mechanism of gas-phase pyrolysis of ylides. Part 3.1 Thermal reactivity of α-carbonyl- and thiocarbonyl-stabilized methylenetriphenylphosphoranes (pages 311–319)

      Rasha F. Al-Bashir, Nouria A. Al-Awadi and Osman M. E. El-Dusouqui

      Article first published online: 23 MAR 2011 | DOI: 10.1002/poc.1752

      The gas-phase pyrolysis of 12 stabilized ylides was studied in the absence of reagents, solvents, and catalysts: an attractive environmental process. Kinetic analysis over 360– 653 K provided Arrhenius data and entropies of activation. The products of pyrolysis were analyzed, and the results were combined with the kinetic data into a plausible reaction mechanism involving a four-membered transition state. Rate constants (k/s−1) at 500 K were used to substantiate the mechanism and to rationalize the thermal molecular reactivities of the ylides.

    7. Conformational analysis of 3-methyl-3-silathiane and 3-fluoro-3-methyl-3-silathiane(pages 320–326)

      Svetlana V. Kirpichenko, Erich Kleinpeter, Igor A. Ushakov and Bagrat A. Shainyan

      Article first published online: 23 MAR 2011 | DOI: 10.1002/poc.1758

      Stereoelectronic interactions rather than simple conformational energies of the substituents are responsible for the conformational behavior of the title compounds which are different from that of silacyclohexanes and thianes.

    8. Solvent effects of ionic liquids: investigation of ferrocenes as electrochemical probes (pages 327–334)

      Claudia Bizzarri, Valeria Conte, Barbara Floris and Pierluca Galloni

      Article first published online: 23 MAR 2011 | DOI: 10.1002/poc.1759

      The redox potentials of ferrocene and decamethylferrocene were determined in a number of molecular and ionic solvents and used as a probe for polarity of room temperature ionic liquids. No macroscopic solvent property is simply related to redox potentials. Single empirical solvent parameters also are not able to describe the differences in potentials. Instead, Kamlet–Taft multiparameter relationship fits well ferrocenes redox potentials variation, with both molecular solvents and ionic liquids, well describing specific solvent–solute interactions with both molecules.

    9. Investigation of the substituent specific cross-interaction effects on 13C NMR of the C[DOUBLE BOND]N bridging group in substituted benzylidene anilines (pages 335–341)

      Chenzhong Cao, Bingtao Lu and Guanfan Chen

      Article first published online: 23 MAR 2011 | DOI: 10.1002/poc.1760

      The 13C NMR chemical shift δC(CN) of the CN in benzylidene anilines XPhCHNPhY increase with the electron-donating effects of group X and the electron-withdrawing effects of group Y, and decrease with the electron-withdrawing effects of group X and the electron-donating effects of group Y, in which the substituents X and Y are in p-position or in m-position of the two aromatic rings. Also the δC(CN) decrease with the substituent specific cross-interaction effect parameter Δσ2.

    10. Silyloxyamines as sources of silyl radicals: ESR spin-trapping, laser flash photolysis investigation, and photopolymerization ability (pages 342–350)

      Davy Louis Versace, Mohamad Ali Tehfe, Jacques Lalevée, Virginie Casarotto, Nicolas Blanchard, Fabrice Morlet-Savary and Jean-Pierre Fouassier

      Article first published online: 23 MAR 2011 | DOI: 10.1002/poc.1762

      New silyloxyamines are proposed as new sources of silyl radicals. The decomposition mechanism, excited state processes and the radical generation are explored by steady state photolysis, laser flash photolysis, ESR and MO calculations. These compounds can also work as efficient Type I and Type II photoinitiators of free radical photopolymerization.


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  • 현재글Journal of Physical Organic Chemistry v.24 n.4 2011

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