ChemPhysChem

Cover image for Vol. 13 Issue 17

December 7, 2012

Volume 13, Issue 17

Pages 3741–4002

  1. Cover Pictures

    1. Top of page
    2. Cover Pictures
    3. Graphical Abstract
    4. Editors' Selection
    5. News
    6. Minireview
    7. Communications
    8. Articles
    1. You have free access to this content
      Cover Picture: Stable and Temperature-Responsive Surfactant-Free Foamulsions with High Oil-Volume Fraction (ChemPhysChem 17/2012) (page 3741)

      Dr. Ashok R. Patel, Ellen Drost, Dr. Theo B. J. Blijdenstein and Dr. Krassimir P. Velikov

      Article first published online: 29 NOV 2012 | DOI: 10.1002/cphc.201290079

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      On p. 3777 A. R. Patel, K. P. Velikov et al. present a surfactant-free food-grade approach to generate complex multiphase systems (foamulsions) with a high oil-volume fraction (φoil=0.5) stabilized by molecular complexes of two food-grade materials (methylcellulose and tannic acid). Enhanced stability of the foams in the presence of a high amount of oil is likely due to the increased bulk viscoelasticity of the dispersions caused by the jamming of oil droplets around the air bubbles. The preferred localization of the oil in the foam phase is exploited to generate intensely colored foams by the incorporation of oil-soluble colorants, thus providing an interesting alternative to solve a long-standing problem of generating richly colored stable foams. Further, due to the temperature-dependent gelling of the molecular complexes and the consequent coalescence of densely-packed oil droplets, the foamulsions show temperature responsiveness by quickly destabilizing at 65 °C. This interesting functional property of the generated foamulsion can find important applications in washing operations and oil and material recovery processes, where stabilization and controlled destabilization of foams is desired.

    2. You have free access to this content
      Inside Cover: Reverse Vesicles of Ferrum Laurate Metallosurfactant in Non-Aqueous Solution Dried to Produce Solid Shells (ChemPhysChem 17/2012) (page 3742)

      Renhao Dong and Prof. Dr. Jingcheng Hao

      Article first published online: 29 NOV 2012 | DOI: 10.1002/cphc.201290080

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      Reversed solid vesicles of ferrum-surfactant in the form of hollow shells can be prepared by removal of shape-selective organic solvents, as shown on p. 3794 by R. Dong and J. Hao.

  2. Graphical Abstract

    1. Top of page
    2. Cover Pictures
    3. Graphical Abstract
    4. Editors' Selection
    5. News
    6. Minireview
    7. Communications
    8. Articles
    1. Graphical Abstract: ChemPhysChem 17/2012 (pages 3743–3753)

      Article first published online: 29 NOV 2012 | DOI: 10.1002/cphc.201290081

  3. Editors' Selection

    1. Top of page
    2. Cover Pictures
    3. Graphical Abstract
    4. Editors' Selection
    5. News
    6. Minireview
    7. Communications
    8. Articles
    1. Editors' Selection: ChemPhysChem 17/2012 (page 3754)

      Article first published online: 29 NOV 2012 | DOI: 10.1002/cphc.201290082

  4. News

    1. Top of page
    2. Cover Pictures
    3. Graphical Abstract
    4. Editors' Selection
    5. News
    6. Minireview
    7. Communications
    8. Articles
  5. Minireview

    1. Top of page
    2. Cover Pictures
    3. Graphical Abstract
    4. Editors' Selection
    5. News
    6. Minireview
    7. Communications
    8. Articles
    1. Divalent Europium Nanocrystals: Controllable Synthesis, Properties, and Applications (pages 3765–3772)

      Dr. Chuanxi Wang, Dr. Lin Xu, Xiangwei Li and Prof. Dr. Quan Lin

      Article first published online: 21 MAY 2012 | DOI: 10.1002/cphc.201200163

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      Under control: Divalent europium nanocrystals (Eu2+ NCs) are a promising class of novel advanced materials that have various applications in magneto-optic devices, catalysis, bioimaging, and solar cells. This Minireview presents the progress in preparing Eu2+ NCs (see picture). Some difficulties and challenges in Eu2+ NC fabrication are discussed, such as water-soluble Eu2+ NCs and tunable luminescence in the whole visible region.

  6. Communications

    1. Top of page
    2. Cover Pictures
    3. Graphical Abstract
    4. Editors' Selection
    5. News
    6. Minireview
    7. Communications
    8. Articles
    1. Reversible Binding of Molecular Oxygen to Catecholate and Amidophenolate Complexes of SbV: Electronic and Steric Factors (pages 3773–3776)

      Dr. Georgy K. Fukin, Dr. Evgenii V. Baranov, Dr. Andrey I. Poddel'sky, Prof. Vladimir K. Cherkasov and Prof. Dr. Gleb A. Abakumov

      Article first published online: 23 OCT 2012 | DOI: 10.1002/cphc.201200728

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      Edge of reactivity: The reactions of reversible binding of molecular oxygen to catecholate and amidophenolate complexes of SbV are investigated by analyzing the position of electronic (EHOMO) and steric (G-parameter) factors. The optimal electronic and steric parameters for such type reactions are found.

    2. Stable and Temperature-Responsive Surfactant-Free Foamulsions with High Oil-Volume Fraction (pages 3777–3781)

      Dr. Ashok R. Patel, Ellen Drost, Dr. Theo B. J. Blijdenstein and Dr. Krassimir P. Velikov

      Article first published online: 21 AUG 2012 | DOI: 10.1002/cphc.201200564

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      There is more than foam: Optical microscopy images (with false colouring, see picture) depicting quick destabilization (within minutes) of foamulsions due to the coalescence of densely-packed oil droplets when heated at higher temperatures (65 °C).

    3. Peptide–Surface Adsorption Free Energy Comparing Solution Conditions Ranging from Low to Medium Salt Concentrations (pages 3782–3785)

      Dr. Yang Wei, Aby A. Thyparambil and Prof. Dr. Robert A. Latour

      Article first published online: 5 OCT 2012 | DOI: 10.1002/cphc.201200527

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      Multi-technique methods involving surface plasmon resonance spectroscopy and atomic force microscopy provide experimental data for the characterization of peptide adsorption on self-assembled monolayers. A comparative study is carried out in phosphate-buffered saline (PBS) and potassium phosphate-buffered (PPB) water to determine the influence of the salt concentration on the adsorption behavior (see figure; ΔG0ads: free energy of peptide adsorption, Fdes: force required for peptide desorption).

    4. Facile Fabrication of SERS Arrays through Galvanic Replacement of Silver onto Electrochemically Deposited Copper Micropatterns (pages 3786–3789)

      Xi Ke, Baoping Lu, Jinhui Hao, Jing Zhang, Haiyan Qiao, Zhe Zhang, Chunyan Xing, Wenshu Yang, Prof. Bailin Zhang and Prof. Jilin Tang

      Article first published online: 27 SEP 2012 | DOI: 10.1002/cphc.201200525

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      Scatter me: A fast and cost-effective approach for the fabrication of surface-enhanced Raman scattering (SERS) arrays is developed. The method applied combines microcontact printing, electrodeposition, and galvanic replacement without the need for expensive instruments and intricate processing. The as-prepared arrays show excellent SERS activity and high reproducibility for Rhodamine 6G.

    5. Advanced Geometries of PEDOT Formed in Titania Nanotubes (pages 3790–3793)

      Dr. Damian Kowalski and Prof. Patrik Schmuki

      Article first published online: 2 OCT 2012 | DOI: 10.1002/cphc.201200735

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      In and out of tube: Robust poly-3,4-ethylene-dioxythiophene nanostructures in the form of nanopore arrays and inverse nanotube arrays are obtained by site-selective deposition into TiO2 nanotubes. The deposition process critically depends on the applied potential (see picture) and is in line with three-dimensional (3D) progressive and 3D instantaneous nucleation-growth mechanism, leading to the construction of polymer blocks or polymer/semiconductor hybrids.

    6. Reverse Vesicles of Ferrum Laurate Metallosurfactant in Non-Aqueous Solution Dried to Produce Solid Shells (pages 3794–3797)

      Renhao Dong and Prof. Dr. Jingcheng Hao

      Article first published online: 20 SEP 2012 | DOI: 10.1002/cphc.201200647

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      Solid shells: Reversed solid vesicles of a metallosurfactant in the form of collapsed erythrocyte-like structures and broken hollow shells (see picture) are prepared by removal of shape-selective organic solvents.

    7. Vapor-Phase Fabrication of β-Iron Oxide Nanopyramids for Lithium-Ion Battery Anodes (pages 3798–3801)

      Dr. Giorgio Carraro, Dr. Davide Barreca, Dr. Manuel Cruz-Yusta, Dr. Alberto Gasparotto, Dr. Chiara Maccato, Prof. Julián Morales, Dr. Cinzia Sada and Prof. Luis Sánchez

      Article first published online: 23 OCT 2012 | DOI: 10.1002/cphc.201200588

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      The other polymorph: A vapor-phase route for the fabrication of β-Fe2O3 nanomaterials on Ti substrates at 400–500 °C is reported. For the first time, the β polymorph is tested as anode for lithium batteries, exhibiting promising performances in terms of Li storage and rate capability (see picture).

  7. Articles

    1. Top of page
    2. Cover Pictures
    3. Graphical Abstract
    4. Editors' Selection
    5. News
    6. Minireview
    7. Communications
    8. Articles
    1. Density Functional Calculations of the Anisotropic Effects of Borazine and 1,3,2,4-Diazadiboretidine (pages 3803–3811)

      Prof. Dr. Marija Baranac-Stojanović, Dr. Andreas Koch and Prof. Dr. Erich Kleinpeter

      Article first published online: 25 OCT 2012 | DOI: 10.1002/cphc.201200732

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      Isochemical shielding surfaces are used to visualize the anisotropic effects of borazine and planar 1,3,2,4-diazadiboretidine (see picture), which are quantitatively calculated on the basis of the nucleus-independent chemical shift (NICS) concept.

    2. Photocontrolled Phase Transitions and Reflection Behaviors of Smectic Liquid Crystals by a Chiral Azobenzene (pages 3812–3818)

      Jingjing Guan, Mingzhi Zhang, Birong Li, Prof. Huai Yang and Prof. Guojie Wang

      Article first published online: 12 OCT 2012 | DOI: 10.1002/cphc.201200729

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      Going through a phase: In a photoresponsive smectic liquid crystal system, the phase transitions from smectic to cholesteric and then to isotropic and the reflection wavelength from the short-wavelength IR to the visible region can be controlled by UV/visible irradiation due to the isomerization of azobenzene (see picture).

    3. A Spectroscopic and Computational Study of Propofol Dimers and Their Hydrated Clusters (pages 3819–3826)

      Dr. Iker León, Dr. Judith Millán, Prof. Fernando Castaño and Dr. José A. Fernández

      Article first published online: 23 SEP 2012 | DOI: 10.1002/cphc.201200633

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      Round and round: Characterization of the clusters formed by two propofol molecules and two propofols and one water molecule shows how water is able to organize the hydrophilic part of these molecules in a cyclic hydrogen-bond network (see picture), while the hydrophobic isopropyl groups interact with the aromatic rings, giving the cluster a surprisingly high stability.

    4. Tunable Dual Fluorescence of 3-(2,2′-Bipyridyl)-Substituted Iminocoumarin (pages 3827–3835)

      Dr. Ali H. Younes and Prof. Lei Zhu

      Article first published online: 11 SEP 2012 | DOI: 10.1002/cphc.201200583

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      Seeing double: 3,7-Disubstituted iminocoumarin exhibits tunable dual fluorescence, which can be affected by selective metal ion coordination at either of the two electron acceptor positions (see picture).

    5. First-Principles Calculations on Electronic Structures of N/V-Doped and N-V-Dodoped Anatase TiO2 (101) Surfaces (pages 3836–3847)

      Dr. Zongyan Zhao, Dr. Zhaosheng Li and Prof. Dr. Zhigang Zou

      Article first published online: 10 OCT 2012 | DOI: 10.1002/cphc.201200575

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      One system, twice doped: The energetic and electronic properties of N/V-doped and N-V-codoped anatase TiO2 (101) surfaces are investigated by first-principles calculations (see picture), with the aim to elucidate the relationship between the electronic structure and the photocatalytic performance of N-V-codoped TiO2. It is shown that NOVTi codoping narrows the band gap of anatase TiO2 and forms impurity states, which favor the separation of photoexcited electron–hole pairs.

    6. Prism-Based Surface Plasmon Coupled Emission Imaging (pages 3848–3851)

      Wei-Peng Cai, Qian Liu, Shuo-Hui Cao, Yu-Hua Weng, Xiao-Qing Liu and Prof. Yao-Qun Li

      Article first published online: 23 SEP 2012 | DOI: 10.1002/cphc.201200569

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      Improved images: A prism-based surface plasmon coupled emission (SPCE) imaging apparatus with a reverse Kretschmann configuration is built and applied to dye-doped polymer films (see picture). Angular distribution, p-polarization and an enhancement of the fluorescence signal are observed. The combination of SPCE imaging and microarray technology appears to be a promising new approach to high-throughput analysis.

    7. Revealing the Absolute Configuration of the CO and CN Ligands at the Active Site of a [NiFe] Hydrogenase (pages 3852–3856)

      Yvonne Rippers, Marius Horch, Prof. Peter Hildebrandt, Dr. Ingo Zebger and Prof. Maria Andrea Mroginski

      Article first published online: 3 SEP 2012 | DOI: 10.1002/cphc.201200562

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      Absolutely trans: Combined molecular dynamics (MD) and quantum mechanical/molecular mechanical (QM/MM) calculations are performed on the crystal structure of the reduced membrane-bound [NiFe] hydrogenase (MBH) from Ralstonia eutropha to determine the absolute configuration of the CO and the two CN ligands bound to the active-site iron of the enzyme, revealing the absolute configuration at the iron atom (see picture).

    8. Thermally Driven Nanofuses Based on Organometallic Rotors (pages 3857–3865)

      Dr. Antonio J. Mota, Dr. Luis Álvarez de Cienfuegos, Sara P. Morcillo, Dr. Noelia Fuentes, Dr. Delia Miguel, Dr. Salvador Rodríguez-Bolívar, Dr. Francisco M. Gómez-Campos, Prof. Dr. Diego J. Cárdenas and Dr. Juan M. Cuerva

      Article first published online: 22 OCT 2012 | DOI: 10.1002/cphc.201200544

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      Like flicking a switch: Chromium arenes are theoretically shown to be suitable molecular switches for the development of nanothermofuses (see picture). The design is tailored in order to have a reversible process that eventually could regenerate the molecular fuse, warranting the reusing of the device under modulated conditions.

    9. Molecular Simulations of Primary Alkanolamines Using an Extendable Force Field (pages 3866–3874)

      Mickaël R. Simond, Dr. Karine Ballerat-Busserolles, Dr. Jean-Yves Coxam and Prof. Agílio A. H. Pádua

      Article first published online: 9 OCT 2012 | DOI: 10.1002/cphc.201200508

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      Headed for a force field: A transferable force field for the molecular simulation of alkanolamines based on the N[BOND]C[BOND]C[BOND]O structure is presented, incorporating polarization effects due to hydrogen bonding. The results provide insights into the structure–property relations that contribute to a better description of the thermodynamic properties of alkanolamines (see picture).

    10. Ionization-Induced Solvent Migration in Acetanilide-Methanol Clusters Inferred from Isomer-Selective Infrared Spectroscopy (pages 3875–3881)

      Dr. Martin Weiler, Takashi Nakamura, Prof. Dr. Hiroshi Sekiya, Prof. Dr. Otto Dopfer, Prof. Dr. Mitsuhiko Miyazaki and Prof. Dr. Masaaki Fujii

      Article first published online: 30 OCT 2012 | DOI: 10.1002/cphc.201200704

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      Put the solvent in seven-league boots: Ionization-induced methanol migration around a peptide linkage is observed in acetanilide-methanol clusters. Upon photoionization the methanol ligand is released from the CO site and trapped at the NH site of the amide group. Isomer-selective IR spectroscopy in the S0, S1, and cation (D0) states reveal an ionization-induced CO[RIGHTWARDS ARROW]NH migration.

    11. Ion Interactions with a New Ditopic Naphthalimide-Based Receptor: A Photophysical, NMR and Theoretical (DFT) Study (pages 3882–3892)

      Vaisakh Mohan, A. Nijamudheen, Sudhir Kumar Das, Prabhat K. Sahu, Usha Pallabi Kar, Dr. Abdur Rahaman and Dr. Moloy Sarkar

      Article first published online: 24 SEP 2012 | DOI: 10.1002/cphc.201200645

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      Two in a box: A new multi-component ditopic chemosensor comprising a naphthalimide moiety as fluorophore is designed and developed to investigate receptor–analyte binding interactions in the presence of metal (see picture) and non-metal ions.

    12. Conformational Control of the Electronic Properties of an α-β Terthiophene: Lessons from a Precursor Towards Dendritic Hyperbranched Oligo- and Poly-Thiophenes (pages 3893–3900)

      Rafael C. González Cano, Helena Herrera, Prof. José L. Segura, Prof. Juan T. López Navarrete, Dr. M. Carmen Ruiz Delgado and Prof. Juan Casado

      Article first published online: 30 AUG 2012 | DOI: 10.1002/cphc.201200620

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      Conformational flexibility of α–β oligothiophenes is scrutinized by Raman spectroscopy and DFT calculations (see picture). Structural and photonic properties are addressed through the interplay among the conformers in terms of π conjugation, ΔE0 and ΔE≈0 energies.

    13. Spectroscopic Evidence for Polymorphic Aggregates Formed by Amyloid-β Fragments (pages 3901–3908)

      Yangmei Guo and Prof. Dr. Jianping Wang

      Article first published online: 30 OCT 2012 | DOI: 10.1002/cphc.201200611

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      Don't forget the structure: Understanding the structure of amyloid-β aggregates is a key step towards elucidating the pathology of Alzheimer′s disease. The aggregation properties of three fragments of the amyloid β1–42 protein are examined by Fourier transform infrared spectroscopy (see picture). The structures of the formed aggregates are found to be both sequence and pH dependent. Detailed structural differences, particularly with regard to parallel and antiparallel β-sheets, are observed.

    14. First-Principles Study toward CO Adsorption on Au/Ni Surface Alloys (pages 3909–3915)

      Prof. Dr. Yu Cheng Huang, Dr. Jin Yan Du, Dr. Tao Zhou and Prof. Dr. Su Fan Wang

      Article first published online: 9 OCT 2012 | DOI: 10.1002/cphc.201200606

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      Golden opportunities: The binding energy ordering on a gold-modified Ni(111) surface can be determined by comparing the distance between gold and the geometrical center of the adsorption site (see picture).

    15. Investigation of Nanoscopic Free Volume and Interfacial Interaction in an Epoxy Resin/Modified Clay Nanocomposite Using Positron Annihilation Spectroscopy (pages 3916–3922)

      Pushkar N. Patil, Dr. Kathi Sudarshan, Dr. Sandeep K. Sharma, Priya Maheshwari, Sangram K. Rath, Dr. Manoranjan Patri and Dr. Pradeep K. Pujari

      Article first published online: 5 NOV 2012 | DOI: 10.1002/cphc.201200593

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      The interfaces in epoxy/clay nanocomposites are investigated using positron annihilation lifetime spectroscopy (PALS) and positron age-momentum correlation (AMOC) techniques. The nanohole-size distribution changes significantly as a result of the formation of epoxy–clay interfaces (see picture).

    16. Synthesis and Optical and Redox Properties of Symmetric and Asymmetric BODIPYs (pages 3923–3931)

      Prof. Inmaculada García-Moreno, Lu Wang, Prof. Angel Costela, Dr. Jorge Bañuelos, Prof. Iñigo López Arbeloa and Prof. Yi Xiao

      Article first published online: 11 SEP 2012 | DOI: 10.1002/cphc.201200587

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      Stable red-emitting dyes: The optical properties of boron-dipyrromethenes (BODIPYs) are modulated by asymmetric and symmetric substitutions with groups of increased electron-withdrawing character.

    17. Highly Reproducible Surface-Enhanced Raman Spectra on Semiconductor SnO2 Octahedral Nanoparticles (pages 3932–3936)

      Li Jiang, Prof. Penggang Yin, Tingting You, Hua Wang, Xiufeng Lang, Prof. Lin Guo and Prof. Shihe Yang

      Article first published online: 20 SEP 2012 | DOI: 10.1002/cphc.201200586

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      SERS substrates: The surface-enhanced Raman spectra (SERS) obtained on SnO2 show good spatial uniformity and reproducibility. A time-dependent DFT study indicates that the SERS signal originates from a charge-transfer transition process.

    18. Azo Monomers Exhibiting Low Layer Shrinkage at the SmA–SmC Transition and transcis Light-Induced Isomerization (pages 3937–3944)

      Tonatiuh García, Leticia Larios-López, Rosa Julia Rodríguez-González, Dr. José Román Torres-Lubián and Dr. Dámaso Navarro-Rodríguez

      Article first published online: 25 SEP 2012 | DOI: 10.1002/cphc.201200585

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      Liquid assets: Methacrylic monomers bearing a long azo chromophore core (see picture) show low layer shrinkage at the smectic A to smectic C transition. This unexpected de Vries-like behavior in molecules without highly segregating elements is attractive for applications in optical devices. These monomers also show high cis-isomer contents (>96 %) after photoirradiation.

    19. DFT-D Studies of Single Porphyrin Molecule on Doped Boron Silicon Surfaces (pages 3945–3951)

      Khaoula Boukari, Prof. Dr. Philippe Sonnet and Dr. Eric Duverger

      Article first published online: 10 OCT 2012 | DOI: 10.1002/cphc.201200578

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      Just popping in: Interactions between individual adsorbed Cu-5,10,15,20-tetrakis(3,5-di-tert-butylphenyl) porphyrin and Si(111)-B substrate (perfect or defective) are simulated by D-DFT (picture, right). It is concluded that a Si adatom can be captured by a demetaled porphyrin without a strong modification of the porphyrin response, as seen on the simulated STM image (left).

    20. Relativistic and Non-Relativistic Electronic Molecular-Structure Calculations for Dimers of 4p-, 5p-, and 6p-Block Elements (pages 3952–3957)

      Dr. Sebastian Höfener, Prof. Dr. Reinhart Ahlrichs, Dr. Stefan Knecht and Prof. Dr. Lucas Visscher

      Article first published online: 25 SEP 2012 | DOI: 10.1002/cphc.201200552

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      Results of non-relativistic and two-component relativistic single-reference CCSD(T) treatments for the 4p-block dimers Ga2 to Br2, and the 5p-block dimers In2 to I2, and their atoms are reported. Extended basis sets up to pentuple zeta are employed and energies extrapolated to the complete basis-set limit. For the 6p-block cases Tl2 to At2 relativistic treatments are presented (see picture).

    21. A Photosensitive Liquid Crystal Studied by 14N NMR, 2H NMR, and DFT Calculations (pages 3958–3965)

      Dr. Alberto Marini, Dr. Blaž Zupančič, Dr. Valentina Domenici, Prof. Benedetta Mennucci, Prof. Boštjan Zalar and Prof. Carlo Alberto Veracini

      Article first published online: 23 SEP 2012 | DOI: 10.1002/cphc.201200546

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      An azobenzene derivative showing the nematic and smectic A liquid crystalline phases, is investigated by means of a combined approach based on NMR and DFT calculations. A relatively high and temperature-dependent molecular biaxiality of the trans state of this azomesogen is reported (see picture).

    22. Amplified Two-Photon Absorption in Trans-A2B2-Porphyrins Bearing Nitrophenylethynyl Substituents (pages 3966–3972)

      Agnieszka Nowak-Król, Dr. Craig J. Wilson, Dr. Mikhail Drobizhev, Dmitry V. Kondratuk, Prof. Aleksander Rebane, Prof. Harry L. Anderson and Prof. Daniel T. Gryko

      Article first published online: 25 SEP 2012 | DOI: 10.1002/cphc.201200507

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      Enhanced absorption: As a result of suitable conditions for effective resonance enhancement along with a lowering of the energy and intensification of the two-photon allowed transitions in the Soret region, peripheral nitro groups enhance the maximum two-photon absorption cross-section of trans-A2B2-porphyrins bearing two phenylethynyl substituents by more than one order of magnitude.

    23. Improving the Capture of CO2 by Substituted Monoethanolamines: Electronic Effects of Fluorine and Methyl Substituents (pages 3973–3980)

      Satesh Gangarapu, Dr. Antonius T. M. Marcelis and Prof. Han Zuilhof

      Article first published online: 10 SEP 2012 | DOI: 10.1002/cphc.201200471

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      Bound to be caught: DFT and ab initio calculations show that the capture of CO2 by alkanolamines can be significantly enhanced by substitution. Among the tested substituents, α-CH2F substitution (see pciture) leads to an overall improvement of all CO2-capture reaction-determining factors.

    24. Assessing the Accuracy of SAPT(DFT) Interaction Energies by Comparison with Experimentally Derived Noble Gas Potentials and Molecular Crystal Lattice Energies (pages 3981–3988)

      Dr. Andrew J. Bordner

      Article first published online: 11 OCT 2012 | DOI: 10.1002/cphc.201200469

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      Low-cost accuracy: The density functional version of symmetry-adapted perturbation theory, SAPT(DFT), can efficiently calculate interaction energies. Comparisons of multiple noble gas interaction potential and sublimation enthalpy measurements with calculated energies show that SAPT(DFT) achieves better agreement with experiments than MP2.

    25. Photophysical Properties of Au-CdTe Hybrid Nanostructures of Varying Sizes and Shapes (pages 3989–3996)

      Krishna Kanta Haldar, Dr. Tapasi Sen, Sadananda Mandal and Prof. Amitava Patra

      Article first published online: 11 OCT 2012 | DOI: 10.1002/cphc.201200446

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      Size matters! Shape too! The impacts of size and shape of Au-CdTe conjugated nanostructures on the radiative recombination of excitons and the nonradiative energy transfer are investigated (see picture). The red shifting of the plasmonic band and the strong photoluminescence quenching reveal a strong interaction between plasmons and excitons in the Au-CdTe hybrid nanostructures.

    26. Enhancement of Iodine–Hydride Interaction by Substitution and Cooperative Effects in NCX–NCI–HMY Complexes (pages 3997–4002)

      Dr. Qing-Zhong Li, Prof. Liang Sun, Xiao-Feng Liu, Dr. Wen-Zuo Li, Dr. Jian-Bo Cheng and Dr. Yan-Li Zeng

      Article first published online: 3 SEP 2012 | DOI: 10.1002/cphc.201200430

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      Let′s cooperate! The halogen–hydride interaction can be enhanced through alkali substitution and cooperative effects with other interactions, including hydrogen bonds, lithium bonds, and halogen bonds (see picture). The combination of alkali substitution and cooperativity results in a more prominent enhancing effect.

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