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Contents list for Physical Chemistry Chemical Physics, issue 4, 2009
Front cover
Phys. Chem. Chem. Phys., 2009, 11, 605
DOI: 10.1039/b822571k
Contents
Phys. Chem. Chem. Phys., 2009, 11, 607
DOI: 10.1039/b822572a
Perspective
Seven conformers of L-threonine in the gas phase: a LA-MB-FTMW study
José L. Alonso, Cristóbal Pérez, M. Eugenia Sanz, Juan C. López and Susana Blanco,
Phys. Chem. Chem. Phys., 2009, 11, 617
DOI: 10.1039/b810940k
L-Threonine was spectroscopically probed by microwave radiation. The rotational and quadrupole coupling constants extracted from the analysis of the rotational spectrum are directly compared with those predicted by ab initio methods to achieve the conclusive identification of seven different conformers.
Communication
Tunability of electronic band gaps from semiconducting to metallic states via tailoring Zn ions in MOFs with Co ions
Jung Hoon Choi, Yoon Jeong Choi, Jung Woo Lee, Weon Ho Shin and Jeung Ku Kang,
Phys. Chem. Chem. Phys., 2009, 11, 628
DOI: 10.1039/b816668d
First-principles calculations showed that the electronic properties of IRMOF-1 could be tailored by cobalt substitution to the metal cluster.
Papers
Electronic and electrochemical properties of Li-doped carbon nanotube–zeolite complex
Y. W. Wen, H. J. Liu, L. Miao, L. Pan and J. Shi,
Phys. Chem. Chem. Phys., 2009, 11, 632
DOI: 10.1039/b813716a
The carbon nanotube–zeolite complex: a promising candidate for the Li-ion battery anode.
High temperature optical spectroscopy investigations on Zr0.78Y0.18Sm0.04O1.89 and Zr0.78Y0.18Ho0.04O1.89 single crystals
S. Gutzov, S. Berendts, M. Lerch, Ch. Geffert, A. Börger and K. D. Becker,
Phys. Chem. Chem. Phys., 2009, 11, 636
DOI: 10.1039/b808771g
The experimentally established relation 
c(T)=c(0)exp(-c·
·T) connects the absorption maxima (c) of f-ions and the linear expansion coefficient of the host single crystals at elevated temperature (T).
The influence of water and pH on adsorption and oxidation of CO on Pd/Al2O3—an investigation by attenuated total reflection infrared spectroscopy
Sune D. Ebbesen, Barbara L. Mojet and Leon Lefferts,
Phys. Chem. Chem. Phys., 2009, 11, 641
DOI: 10.1039/b814605e
In situ ATR spectroscopy revealed enhanced oxidation of adsorbed CO on Pd/Al2O3 both by water and by increasing pH via a changing potential of Pd particles.
Matrix isolation studies and DFT calculations on molecular alkali metal bromates
J. Steven Ogden, John T. Graham, Jon T. Joy and Francesco Ferrante,
Phys. Chem. Chem. Phys., 2009, 11, 650
DOI: 10.1039/b813021c
The vibrational spectrum and molecular parameters for molecular CsBrO3 have been established.
Rate constants and the H atom branching ratio of the reactions of the methylidyne CH(X2
) radical with C2H2, C2H4, C3H4 (methylacetylene and allene), C3H6 (propene) and C4H8 (trans-butene)
Jean-Christophe Loison and Astrid Bergeat,
Phys. Chem. Chem. Phys., 2009, 11, 655
DOI: 10.1039/b812810c
This paper describes important measurements of product branching ratios in reactions relevant to combustion, astro- and planetary chemistry. Estimations of rate coefficients relevant for astrochemical models have been made.
Temperature effects on the oscillatory electro-oxidation of methanol on platinum
Emilia A. Carbonio, Raphael Nagao, Ernesto R. Gonzalez and Hamilton Varela,
Phys. Chem. Chem. Phys., 2009, 11, 665
DOI: 10.1039/b811636a
Temperature effects on the oscillatory electro-oxidation of methanol on Pt are characterized and compared with a previous study of a similar system when using formic acid instead of methanol as a substrate. In contrast to formic acid, only conventional, Arrhenius-like dynamics was observed for methanol.
Kinetic studies of atmospherically relevant silicon chemistry
Part I: Silicon atom reactions
Juan C. Gómez Martín, Mark A. Blitz and John M. C. Plane,
Phys. Chem. Chem. Phys., 2009, 11, 671
DOI: 10.1039/b812946k
Experimental and theoretical work on the reactivity of ground state and excited atomic silicon against oxygen, ozone, carbon dioxide and water, is presented.
The electrochemistry of 
solid/water
interfaces involved in PEM-H2O reactors
Part I. The Pt/water interfaces
Qiang Wang, Chuan-Sin Cha, Juntao Lu and Lin Zhuang,
Phys. Chem. Chem. Phys., 2009, 11, 679
DOI: 10.1039/b810429h
Wang
s results indicated that Pt/water interfaces in PEM fuel cells function as electrochemical interfaces playing an active role in electrode processes.
First- and second-order phase transitions in the adlayer of biadipate on Au(111)
Th. Doneux and R.J. Nichols,
Phys. Chem. Chem. Phys., 2009, 11, 688
DOI: 10.1039/b813883d
Biadipate electroadsorbed on Au(111) undergoes a first- or second-order phase transition depending on the concentration.
A TD-DFT investigation of two-photon absorption of fluorene derivatives
S. Zein, F. Delbecq and D. Simon,
Phys. Chem. Chem. Phys., 2009, 11, 694
DOI: 10.1039/b808965e
Displacement of the two-photon absorption energy and enhancement of the 
TPA cross section of fluorene by electrodonor and electroattractor combined substituents.
Polymer-nanotube composite mats with improved field emission performance and stability
E. Stratakis, E. Kymakis, E. Spanakis, P. Tzanetakis and E. Koudoumas,
Phys. Chem. Chem. Phys., 2009, 11, 703
DOI: 10.1039/b813198h
A detailed study describing the emission properties of carbon nanotube mats dispersed on various substrates, such as Si and polymer + SWCNT composite and paving the way for practical field emission application of CNT using flexible polymer substrates.
Size to density coupling of supported metallic clusters
Elad Gross and Micha Asscher,
Phys. Chem. Chem. Phys., 2009, 11, 710
DOI: 10.1039/b809355e
Gold and palladium nano-clusters prepared via multiple cycles, using amorphous solid water–buffer layer assisted growth (ASW–BLAG) procedure.
A systematic study of influence of ligand substitutions on the electronic structure and magnetic properties of Mn4 single-molecule magnets
Nguyen Anh Tuan, Shin-ichi Katayama and Dam Hieu Chi,
Phys. Chem. Chem. Phys., 2009, 11, 717
DOI: 10.1039/b806661b
Electronic structure and magnetic properties of Mn4 single-molecule magnets, and the role of ligands in developing Mn4-based single-molecule magnets.
Photochemical modification of diamond powders with elemental sulfur and their surface-attachment behavior on gold surfaces
Takako Nakamura, Tsuguyori Ohana, Yuta Hagiwara and Toshiki Tsubota,
Phys. Chem. Chem. Phys., 2009, 11, 730
DOI: 10.1039/b814406k
A useful method for fabrication of sulfur-functionalized diamond powder was developed by photochemical modification with elemental sulfur.
Back cover
Phys. Chem. Chem. Phys., 2009, 11, 735
DOI: 10.1039/b822573g
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