In situ mapping of zeolite ZSM-5 crystals

‘HOT’ paper – using confocal fluorescence microscopy to view zeolite crystals

Bert  Weckhuysen and Lukasz Karwacki have combined UV-Vis/confocal fluorescence micro-spectroscopy to allow in situ mapping of the template decomposition process in large zeolite ZSM-5 crystals.

zeolite
New insight in the template decomposition process of large zeolite ZSM-5 crystals: an in situ UV-Vis/fluorescence micro-spectroscopy study

Lukasz Karwacki and Bert M. Weckhuysen
Phys. Chem. Chem. Phys., 2011, DOI: 10.1039/C0CP02220A

Seeing small differences in the diffusion rate of the molecules by confocal fluorescence microscopy in the porous catalyst body allowed visualization of the internal architecture of zeolite crystals and confirmed the presence of a 90 degree intergrowth structure within large ZSM-5 crystals.

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New insights into fundamental chemical reactivity

chemical reactivityThe hydrogen exchange reaction H + H2 -> H2 + H is the simplest neutral bimolecular reaction and for nearly a century has been a benchmark for studying reaction dynamics.

Scientists have now measured differential cross sections (DCSs) for the reaction H + D2 -> HD + D, which has enabled them to fill many of the gaps in our basic understanding of chemical reactivity.

Differential cross sections for H + D2 → HD(v′ = 2, j′ = 0,3,6,9) + D at center-of-mass collision energies of 1.25, 1.61, and 1.97 eV
Nate C.-M. Bartlett, Justin Jankunas, Tapas Goswami, Richard N. Zare, Foudhil Bouakline and Stuart C. Althorpe
Phys. Chem. Chem. Phys., 2011, DOI: 10.1039/C0CP02460K

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New insight into HIV-1 protein

A PCCP paper from Issue 1, 2011 has featured on the science forum Physorg.com.

In the research, new observations of the pH responsive folding of a membrane proximal HIV peptide provides a new insight into HIV membrane fusion.

HIV proteinRead the Physorg.com article or go straight t the PCCP paper:

Autonomous folding in the membrane proximal HIV peptide gp41659–671: pH tuneability at micelle interfaces
Craig R. Gregor, Eleonora Cerasoli, Paul R. Tulip, Maxim G. Ryadnov, Glenn J. Martyna and Jason Crain
Phys. Chem. Chem. Phys., 2011, 13, 127-135

We encourage you to check out the rest of the great articles featured in the first issue of 2011.

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Fluorine chemistry collection

To celebrate the 10th anniversary of the RSC Fluorine Interest group we have published a web themed issue on fluorine chemistry, Guest Edited by Veronique Gouverneur.

The collection includes articles from across several RSC journals, including this paper from PCCP:

Chemical reactions inside structured nano-environment: SN2 vs. E2 reactions for the F + CH3CH2Cl system
Josefredo R. Pliego Jr.
Phys. Chem. Chem. Phys., 2011, DOI: 10.1039/C0CP01182G

View the whole collection today!

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Breaking news for the CO bond

Scientists have pinpointed the moment that the CO bond, the strongest bond of any diatomic molecule, breaks when oxidised by a gold catalyst.

goldUntil now, research has only focussed on the catalysts’ active site and not on the reaction mechanisms. Graham Hutchings, Albert Carley and colleagues at the University of Cardiff have investigated the reaction mechanism occurring on a Au/Fe2O3 catalyst and found that CO dissociates at ambient temperature when co-adsorbed with O2.

The oxidation of CO gives a surprising result on a gold catalyst as the CO bond being broken is counter-intuitive since it is the strongest diatomic bond,’ says Hutchings.

Read the rest of the Chemistry World article

View the PCCP paper:

CO bond cleavage on supported nano-gold during low temperature oxidation
Albert F. Carley, David J. Morgan, Nianxue Song, M. Wyn Roberts, Stuart H. Taylor, Jonathan K. Bartley, David J. Willock, Kara L. Howard and Graham J. Hutchings
Phys. Chem. Chem. Phys., 2011, DOI: 10.1039/c0cp01852j

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Zigzag graphene nanoribbons

zizzag nanoribbonsHOT’ paper – read it now

The electronic transport properties based on the structures of an epoxy-pair chain on zigzag graphene nanoribbons are investigated.

I–V characteristics indicate that this graphene oxide can display the phenomenon of negative differential resistance (NDR) and may provide great potential applications in nanoelectronics by using modified graphene materials.

Negative differential resistance in oxidized zigzag graphene nanoribbons
Min Wang and Chang Ming Li
Phys. Chem. Chem. Phys., 2011, Advance Article
DOI: 10.1039/C0CP00828A

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Simulating molecular shuttles

‘HOT’ paper – investigating a molecular shuttle with nano-technological applications

simulating a molecular shuttleMolecular dynamics simulations and DFT calculations support experimental observations providing some insights into mechanical and electronic properties of a molecular shuttle working in acetonitrile solution.

Conformational analysis and UV/Vis spectroscopic properties of a rotaxane-based molecular machine in acetonitrile dilute solution: when simulations meet experiments
Giordano Mancini, Costantino Zazza, Massimiliano Aschi and Nico Sanna
Phys. Chem. Chem. Phys., 2011, DOI: 10.1039/C0CP01773F

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2D spectroscopy of amyloid fibrils

2D spectroscopy‘HOT’ article – read it today!

Distinct 2D near ultraviolet (2DNUV) spectroscopic signatures in amyloid fibrils are identified for different aromatic transitions and their couplings, and the change of residue–residue interactions induced by mutations.

Two-dimensional near-ultraviolet spectroscopy of aromatic residues in amyloid fibrils: a first principles study
Jun Jiang and Shaul Mukamel
Phys. Chem. Chem. Phys., 2011, DOI: 10.1039/C0CP02047H

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Multiply charged ions in the gas-phase – call for papers

PCCP is pleased to announce a high-profile themed issue on multiply charged ions (MCIs) in the gas-phase, Guest Edited by Professor Stephen Price (University College London) and Dr Jana Roithová (Charles University, Prague).

Submit to this themed issue – Submission Deadline: 16 May 2011

Fifteen years ago gas-phase multiply-charged ions (MCIs) were viewed as chemical oddities.  However, the development of a wide variety of new experimental and theoretical methodologies now means that the unique and unusual properties of these species (both negatively and positively charged) have begun to be revealed: from reactions forming new dicationic rare gas compounds to supramolecular assembly of multiply-charged species in a mass spectrometer.

Our increased understanding of the properties of MCIs allows us to appreciate that their chemistry may be involved in media as varied as fusion plasmas and planetary ionospheres.  Scientists are now working on vast range of MCI projects, yet these seemingly rather disparate fields are united because, in all cases, the properties of the MCIs are critically determined by the subtle competition of electrostatic repulsion and chemical bonding.

This issue will highlight the parallel progress and common themes in the chemical physics and physical chemistry of MCIs.  The varied topics covered will generate an issue which will appeal to the broad spread of scientists involved with gas-phase MCIs: molecular and chemical physicists, spectroscopists and mass spectrometrists, physical chemists and even inorganic chemists.

Submission details

  • You can submit via our online submissions service – please indicate your manuscript is intended for this themed issue.
  • Submissions should be high quality manuscripts of original, unpublished research. All submissions will be subject to rigorous peer review
  • This issue will be published in late 2011 anddisplayed at relevant conferences to maximise the visibility of the work published.
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PCCP paper featured on PhysOrg.com

A PCCP paper by Daniel Friebel and Anders Nilsson on the x-ray probing of a fuel cell catalyst was featured on PhysOrg.com this week

X-ray probeView the article on PhysOrg.com

Link to journal article:
In situ X-ray probing reveals fingerprints of surface platinum oxide

Daniel Friebel, Daniel J. Miller, Christopher P. O’Grady, Toyli Anniyev, John Bargar, Uwe Bergmann, Hirohito Ogasawara, Kjartan Thor Wikfeldt, Lars G. M. Pettersson and Anders Nilsson
Phys. Chem. Chem. Phys., 2011
DOI: 10.1039/C0CP01434F

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