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Contents list for Physical Chemistry Chemical Physics, issue 46, 2008
Front cover
Phys. Chem. Chem. Phys., 2008, 10, 6909
DOI: 10.1039/b819795b
Inside front cover
Phys. Chem. Chem. Phys., 2008, 10, 6910
DOI: 10.1039/b819804g
Contents and Chemical Technology
Phys. Chem. Chem. Phys., 2008, 10, 6911
DOI: 10.1039/b819796m
Communications
What keeps ionic liquids in flow?
S. Zahn, G. Bruns, J. Thar and B. Kirchner,
Phys. Chem. Chem. Phys., 2008, 10, 6921
DOI: 10.1039/b814962n
The elimination of a hydrogen bond in imidazolium based ionic liquids which results in an increased melting point is investigated by means of static quantum chemical and molecular dynamics simulations.
Room-temperature immobilization of gold nanoparticles on Si(111) surface and their electron behaviour
Tetsu Yonezawa, Kazuki Uchida, Yoshinori Yamanoi, Shintaro Horinouchi, Nao Terasaki and Hiroshi Nishihara,
Phys. Chem. Chem. Phys., 2008, 10, 6925
DOI: 10.1039/b813174k
Ambient immobilization of gold nanoparticles on Si(111) surface by simple immersion of hydrogen-terminated silicon wafer into their dispersion was achieved.
Papers
Gold single-crystal electrode surface modified with self-assembled monolayers for electron tunneling with bilirubin oxidase
Masato Tominaga, Mai Ohtani and Isao Taniguchi,
Phys. Chem. Chem. Phys., 2008, 10, 6928
DOI: 10.1039/b809737b
Using Au(111) and Au(100) single-crystal electrodes modified with self-assembled monolayers, the direct electron transfer reaction of bilirubin oxidase adsorbed onto their surfaces was investigated.
Conformational change in 4-pyridineethanethiolate self-assembled monolayers on Au(111) driven by protonation/deprotonation in electrolyte solutions
Katsuhiko Nishiyama, Masashi Tsuchiyama, Atsushi Kubo, Hiroshi Seriu, Susumu Miyazaki, Soichiro Yoshimoto and Isao Taniguchi,
Phys. Chem. Chem. Phys., 2008, 10, 6935
DOI: 10.1039/b810777g
Conformational change in 4-pyridineethanethiolate SAMs driven by protonation/deprotonation.
Ion aggregation in concentrated aqueous and methanol solutions of polyoxometallates Keggin anions: the effect of counterions investigated by molecular dynamics simulations
Alain Chaumont and Georges Wipff,
Phys. Chem. Chem. Phys., 2008, 10, 6940
DOI: 10.1039/b810440a
In spite of their coulombic repulsions, like-charged polyoxometallate anions can aggregate in water via bridging H2O molecules, with marked counterion effects.
Excision of CN- and OCN- from acetamide and some amide derivatives triggered by low energy electrons
Constanze Koenig-Lehmann, Janina Kopyra, Iwona D
bkowska, Jaroslav Ko
i
ek and Eugen Illenberger,
Phys. Chem. Chem. Phys., 2008, 10, 6954
DOI: 10.1039/b812130c
The excision of CN- and CNO- groups, where several bonds are cleaved, may be induced by electrons with energies lower than 2 eV, thus below the energy of a typical chemical bond!
Extended Förster theory for determining intraprotein distances
Part III. Partial donor–donor energy migration among reorienting fluorophores
N. Norlin, P. Håkansson, P.-O. Westlund and L. B.-Å. Johansson,
Phys. Chem. Chem. Phys., 2008, 10, 6962
DOI: 10.1039/b810661d
The theory outlined is applicable for energy transfer within pairs of identical but photophysically non-identical fluorescent molecules.
Protein-induced geometric constraints and charge transfer in bacteriochlorophyll–histidine complexes in LH2
Piotr K. Wawrzyniak, A. Alia, Roland G. Schaap, Mattijs M. Heemskerk, Huub J. M. de Groot and Francesco Buda,
Phys. Chem. Chem. Phys., 2008, 10, 6971
DOI: 10.1039/b810457c
The light-harvesting complex II (LH2) protein forces the histidine close to the bacteriochlorophyll, thereby inducing structural changes and a large charge transfer.
Investigation of induced currents in cyclic forms of ortho-acylphenols and lithium analogues: does the lithium cation contribute to aromatic 
-electron delocalisation?
Tadeusz M. Krygowski, Joanna E. Zachara-Horeglad, Patrick W. Fowler and Mark Lillington,
Phys. Chem. Chem. Phys., 2008, 10, 6979
DOI: 10.1039/b803142h
H- and Li-bonded quasi-rings influence geometry of a fused benzene ring in a way similar to Clar sextets but without sustaining aromatic ring currents.
Trapped-molecule charge-transfer complexes with huge dipoles: M–C2F6–X (M = Na to Cs, X = Cl to I)
Fedor Y. Naumkin,
Phys. Chem. Chem. Phys., 2008, 10, 6986
DOI: 10.1039/b807614f
Inserting concave-shaped molecules between atoms of ion-pair diatoms can produce metastable complexes with very large dipole moments, storing energy at the molecular level.
Assessment of a computational strategy approaching spectroscopic accuracy for structure, magnetic properties and vibrational frequencies of organic free radicals: the F2CN and F2BO case
Cristina Puzzarini and Vincenzo Barone,
Phys. Chem. Chem. Phys., 2008, 10, 6991
DOI: 10.1039/b813145g
Toward spectroscopic accuracy for organic free radicals: the F2CN and F2BO case. Molecular structure, vibrational spectrum and magnetic properties.
Adsorption of water molecules on partially oxidized graphite surfaces: a molecular dynamics study of the competition between OH and COOH sites,
Sylvain Picaud, Barbara Collignon, Paul N. M. Hoang and Jean-Claude Rayez,
Phys. Chem. Chem. Phys., 2008, 10, 6998
DOI: 10.1039/b811126j
The type, number and location of hydrophilic sites on graphite surfaces strongly influence water adsorption and dynamics on these surfaces.
Dimer formation in nicotinamide and picolinamide in the gas and condensed phases probed by infrared spectroscopy
Ana Borba, Merwe Albrecht, Andrea Gómez-Zavaglia, Leszek Lapinski, Maciej J. Nowak, Martin A. Suhm and Rui Fausto,
Phys. Chem. Chem. Phys., 2008, 10, 7010
DOI: 10.1039/b810002k
In the glassy state, picolinamide and nicotinamide aggregate as centrosymmetric dimers. In the crystalline state, nicotinamide molecules assume a different arrangement where one of the NH
O
C bonds is replaced by an NHN(ring) bond.
Polymerization of polypyrrole on single crystal platinum electrodes: a surface structure sensitive reaction
Marco F. Suarez-Herrera and Juan M. Feliu,
Phys. Chem. Chem. Phys., 2008, 10, 7022
DOI: 10.1039/b812323c
Cyclic voltammograms for the basal plane platinum electrodes in 0.1 M KClO4 and electrocatalytical oxidation of pyrrole on Pt(111) (10 cycles are shown).
Effect of the electrostatic microenvironment on the observed redox potential of electroactive supramolecular bioconjugates
Omar Azzaroni, Basit Yameen and Wolfgang Knoll,
Phys. Chem. Chem. Phys., 2008, 10, 7031
DOI: 10.1039/b806445h
The redox potential of electroactive supramolecular bioconjugates can be controlled by tuning the electrostatic characteristics of the biomacromolecular environment.
Theoretical investigation of the reaction mechanism for the phosphate diester hydrolysis using an asymmetric dinuclear metal complex as a biomimetic model of the purple acid phosphatase enzyme
Dalva E. C. Ferreira, Wagner B. De Almeida, Ademir Neves and Willian R. Rocha,
Phys. Chem. Chem. Phys., 2008, 10, 7039
DOI: 10.1039/b809189g
Theoretical investigation on a biomimetic Fe(III)–Zn(II) dinuclear metal complex indicates that the hydrolysis of phosphate diester takes place in two steps.
Back cover
Phys. Chem. Chem. Phys., 2008, 10, 7047
DOI: 10.1039/b819797k
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