Journal of Physical Organic Chemistry

Cover image for Journal of Physical Organic Chemistry

March 2010

Volume 23, Issue 3

Pages 181–270

  1. Research Articles

    1. Top of page
    2. Research Articles
    1. Comparative study of electronic structure and optical properties of a series of Pt(II) complexes containing different electron-donating and -withdrawing groups: a DFT study (pages 181–189)

      Xiao-Na Li, Zhi-Jian Wu and Hong-Jie Zhang

      Version of Record online: 9 SEP 2009 | DOI: 10.1002/poc.1591

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      This quantum chemistry study shows that complexes containing electron-donating groups (1 and 2) have higher quantum yields than those containing electron-withdrawing groups due to the higher MLCT composition and d-d excited state energies. 3–5 will not have a lower electroluminescence (EL) efficiency than 1 and 2 due to the enhanced electron injection abilities.

    2. Effect of substituent groups of porphyrins on the electroluminescent properties of porphyrin-doped OLED devices (pages 190–194)

      Lin-Jian Zhu, Jian Wang, Tie-Gang Reng, Chun-Yan Li, Dong-Cai Guo and Can-Cheng Guo

      Version of Record online: 7 AUG 2009 | DOI: 10.1002/poc.1592

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      Six tetraphenylporphyrins TRPPH2 with different horizontal substituents R (RH, CH3, OH, F, Cl, Br) were synthesized and used as host dopants in organic light-emitting diode (OLED) devices with a general configuration of ITO/TPD/Alq3:2% TRPPH2/Alq3/Al. The turn-on voltage, brightness, and power efficiency of the devices were found to depend on the effective overlaps between the emission of electron-transporting material and the absorption of the dopants.

    3. New dithiacrown–ether butadienyl dyes: synthesis, structure, and complex formation with heavy metal cations (pages 195–206)

      Artem I. Vedernikov, Evgeny N. Ushakov, Lyudmila G. Kuz'mina, Andrei V. Churakov, Yuri A. Strelenko, Michael Wörner, André M. Braun, Judith A. K. Howard, Michael V. Alfimov and Sergey P. Gromov

      Version of Record online: 18 SEP 2009 | DOI: 10.1002/poc.1596

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      Structural, spectral, and complexing properties of dithia-15(18)-crown-5(6)-ether butadienyl dyes were studied in aqueous solutions. The dyes can be used as selective optical molecular sensors for heavy metal cations.

    4. ‘Locking and unlocking control’ of photochromism of naphthopyran derivative (pages 207–210)

      Kunpeng Guo and Yi Chen

      Version of Record online: 17 AUG 2009 | DOI: 10.1002/poc.1598

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      A “locking and unlocking control” of photochromism of naphthopyran derivative has been demonstrated. The photoreaction of ring-opening isomer of naphthopyran derivative can be locked and unlocked via molecular modulation, which offers a simple approach to manipulate the reversible process between two states of a molecule.

    5. Premicellar and micelle formation behavior of aqueous anionic surfactants in the presence of triphenylmethane dyes: protonation of dye in ion pair micelles (pages 211–219)

      Biren Gohain, Bornali Boruah, Palash M. Saikia and Robin K. Dutta

      Version of Record online: 19 AUG 2009 | DOI: 10.1002/poc.1603

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      Surface tension and absorbance of aqueous triphenylmethane dyes vs. log [SDS] indicate a series of successive interactions, viz. formation of dye-surfactant ion pair, air-water interfacial monolayer of ion pair surfactants, micelle formation by ion pair surfactants and simultaneous protonation of the dye in the ion pair micelles, and transition of the ion pair micelles to pure surfactant micelles with solubilized dye above the CMC of the pure surfactant.

    6. Nucleophilic reactivity of thiolate, hydroxide, and phenolate ions toward a model O2-arylated diazeniumdiolate prodrug in aqueous and cationic surfactant media (pages 220–226)

      Matthew S. Ning, Stacy E. Price, Jackie Ta and Keith M. Davies

      Version of Record online: 9 SEP 2009 | DOI: 10.1002/poc.1607

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      Nucleophilic substitution of the NO-generating ion DEA/NO by thiolate, phenolate and hydroxide ions, from the model diazeniumdiolate prodrug, DNP-DEA/NO, has been examined. A Brønsted plot (log kRS vs. pKa) is established for the thiolysis reactions. The catalysis of the thiolysis and base hydrolysis reactions by cationic vesicle interfaces is described.

    7. Synthesis of N-alkoxybenzimidoyl azides and their reactions in electrophilic media (pages 227–237)

      Debra D. Dolliver, Thomas Sommerfeld, Megan L. Lanier, Jordan A. Dinser, Richard P. Rucker, Rebecca J. Weber and Artie S. McKim

      Version of Record online: 15 SEP 2009 | DOI: 10.1002/poc.1608

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      N-Alkoxyimidoyl azides have been synthesized and their reactions in electrophilic media have been examined. Two competing reaction pathways have been identified. The product distribution from these two pathways depends on the electrophile.

    8. Preferential mode of cyclization of tetrahydrofuran amino acids containing peptides: some theoretical insights (pages 238–245)

      N. V. Suresh Kumar, Purshotam Sharma, Harjinder Singh, Dipankar Koley, Saumya Roy and Tushar Kanti Chakraborty

      Version of Record online: 19 AUG 2009 | DOI: 10.1002/poc.1609

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      Preference of cyclodimerization over intramolecular cyclization reactions in ‘2,5-cis’ (2S,5R)-tetrahydrofuran amino acid as well as ‘2,5-trans’ (2S,5S)-tetrahydrofuran amino acid containing peptides is investigated using quantum chemical methods, ESP, AIM and NBO studies. Additional stabilizing hydrogen bonding interactions are seen in intermolecularly cyclized products.

    9. Synthesis and multiparameter sensor properties of the crown-containing thiophene derivatives (pages 246–254)

      Olga Fedorova, Elena Lukovskaya, Artem Mizerev, Yury Fedorov, Alla Bobylyova, Anton Maksimov, Anna Moiseeva, Aleksander Anisimov and Gediminas Jonusauskas

      Version of Record online: 18 SEP 2009 | DOI: 10.1002/poc.1610

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      A novel ditopic receptor capable of coordinating Fe2+, Cd2+, and Mg2+ metal cations through the N-atom of pyridine part as well as the alkaline earth metal (Mg2+, Ca2+, and Ba2+) cations due to binding with crown ether macrocycle demonstrates optical and electrochemical changes specific to each binding center.

    10. Enols of 2-nitro- and related 2-substituted malonamides (pages 255–265)

      Ahmad Basheer, Masaaki Mishima and Zvi Rappoport

      Version of Record online: 9 SEP 2009 | DOI: 10.1002/poc.1611

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      The extent and site of the amide/enol equilibria depend on Y and the solvent.

    11. Photochromic behavior of several new synthesized dyes via Zincke salts (pages 266–270)

      N. O. Mahmoodi, M. Mamaghani, A. Ghanadzadeh, M. Arvand and M. Fesanghari

      Version of Record online: 30 OCT 2009 | DOI: 10.1002/poc.1623

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      Reaction of some secondary amines to pyridinium salts following precyclic ring-opening reaction leads to the opening of the pyridinium ring and formation of dyes. The negative and positive photochromic property of these dyes in different solvents was observed..