Author Archive

Astrochemistry – PCCP themed collection, Issue 8

Graphical abstract: Front coverPCCP is delighted to present an excellent collection of articles on the theme of astrochemistry, Guest Edited by Wendy A. Brown. Read her Editorial to find out more.

The outside front cover features Formation of hydroxyacetonitrile (HOCH2CN) and polyoxymethylene (POM)-derivatives in comets from formaldehyde (CH2O) and hydrogen cyanide (HCN) activated by water by Grégoire Danger, Albert Rimola, Ninette Abou Mrad, Fabrice Duvernay, Gaël Roussin, Patrice Theule and Thierry Chiavassa

The Astrochemistry themed collection features a broad range of Papers and Communications and features the following Perspective article:

Three milieux for interstellar chemistry: gas, dust, and ice
Eric Herbst
Phys. Chem. Chem. Phys., 2014, 16, 3344
DOI:10.1039/C3CP54065K

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This week’s HOT articles

Take a look at this week’s HOT articles, which are free to access for a limited time: Graphical abstract: Oxidation state of cross-over manganese species on the graphite electrode of lithium-ion cells

Oxidation state of cross-over manganese species on the graphite electrode of lithium-ion cells
Sanketh R. Gowda, Kevin G. Gallagher, Jason R. Croy, Martin Bettge, Michael M. Thackeray and Mahalingam Balasubramanian
DOI: 10.1039/C4CP00764F, Communication

Vortex-induced aggregation in superfluid helium droplets
Daniel Spence, Elspeth Latimer, Cheng Feng, Adrian Boatwright, Andrew M. Ellis and Shengfu Yang
Phys. Chem. Chem. Phys., 2014, Advance Article
DOI: 10.1039/C4CP00525B, Communication

Electronic structure investigation of the evanescent AtO+ ion
André Severo Pereira Gomes, Florent Réal, Nicolas Galland, Celestino Angeli, Renzo Cimiraglia and Valérie Vallet
Phys. Chem. Chem. Phys., 2014, Advance Article
DOI: 10.1039/C3CP55294B, Paper

Dynamics of metal uptake by charged soft biointerphases: impacts of depletion, internalisation, adsorption and excretion
Jérôme F. L. Duval and Elise Rotureau
Phys. Chem. Chem. Phys., 2014, Advance Article
DOI: 10.1039/C4CP00210E, Paper

Separating the redox couple for highly efficient solid-state dye-sensitized solar cells
Juan Li, Wei Zhang, Lu Zhang and Zhong-Sheng Wang
Phys. Chem. Chem. Phys., 2014, Advance Article
DOI: 10.1039/C4CP00628C, Paper Graphical abstract: Separating the redox couple for highly efficient solid-state dye-sensitized solar cells

An inelastic neutron scattering study of dietary phenolic acids
M. Paula M. Marques, Luís A. E. Batista de Carvalho, Rosendo Valero, Nelson F. L. Machado and Stewart F. Parker
Phys. Chem. Chem. Phys., 2014, Advance Article
DOI: 10.1039/C4CP00338A, Paper

Analytical tools for single-molecule fluorescence imaging in cellulo
M. C. Leake
Phys. Chem. Chem. Phys., 2014, Advance Article
DOI: 10.1039/C4CP00219A, Perspective

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This week’s HOT articles

Take a look at this week’s HOT articles, which are free to access for a limited time:

Porphyrin-based sensor nanoarchitectonics in diverse physical detection modes
Shinsuke Ishihara, Jan Labuta, Wim Van Rossom, Daisuke Ishikawa, Kosuke Minami, Jonathan P. Hill and Katsuhiko Ariga Graphical abstract: Porphyrin-based sensor nanoarchitectonics in diverse physical detection modes
DOI: 10.1039/C3CP55431G, Perspective

Manipulating the excitation transfer in Photosystem I using a Fabry–Perot metal resonator with optical subwavelength dimensions
Alexander Konrad, Anna-Lisa Trost, Sepideh Skandary, Martin Hussels, Alfred J. Meixner, Navasard V. Karapetyan and Marc Brecht
DOI: 10.1039/C3CP55195D, Paper

Static 1H dynamic nuclear polarization with the biradical TOTAPOL: a transition between the solid effect and the cross effect
Daphna Shimon, Akiva Feintuch, Daniella Goldfarb and Shimon Vega
DOI: 10.1039/C3CP55504F, Paper

Low-temperature combustion chemistry of novel biofuels: resonance-stabilized QOOH in the oxidation of diethyl ketone
Adam M. Scheer, Oliver Welz, Judit Zádor, David L. Osborn and Craig A. Taatjes
DOI: 10.1039/C3CP55468F, Paper

Molecules in the mirror: how SERS backgrounds arise from the quantum method of images
Stephen M. Barnett, Nadine Harris and Jeremy J. Baumberg
DOI: 10.1039/C4CP00093E, Communication

A nine-dimensional global potential energy surface for NH4(X2A1) and kinetics studies on the H + NH3 ↔ H2 + NH2 reaction
Jun Li and Hua Guo
DOI: 10.1039/C4CP00241E, Paper

Floating orbital molecular dynamics simulations
Eva Perlt, Marc Brüssel and Barbara Kirchner
DOI: 10.1039/C3CP54797C, Paper Graphical abstract: Central-transition double-quantum sideband NMR spectroscopy of half-integer quadrupolar nuclei: estimating internuclear distances and probing clusters within multi-spin networks

Central-transition double-quantum sideband NMR spectroscopy of half-integer quadrupolar nuclei: estimating internuclear distances and probing clusters within multi-spin networks
Andreas Brinkmann and Mattias Edén
DOI: 10.1039/C4CP00029C, Paper

Optical manipulation of single molecules in the living cell
Kamilla Norregaard, Liselotte Jauffred, Kirstine Berg-Sørensen and Lene Broeng Oddershede
DOI: 10.1039/C4CP00208C, Perspective

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This week’s HOT articles

Take a look at this week’s HOT articles, which are free to access for a limited time: Graphical abstract: A unified model for surface electrocatalysis based on observations with enzymes

Dye chemistry with time-dependent density functional theory
Adèle D. Laurent, Carlo Adamo and Denis Jacquemin
DOI: 10.1039/C3CP55336A, Perspective

Synthesis and characterisation of an unsymmetrical, ether-linked, fluorinated bimesogen exhibiting a new polymorphism containing the NTB or ‘twist-bend’ phase
R. J. Mandle, E. J. Davis, S. A. Lobato, C.-C. A. Vol, S. J. Cowling and J. W. Goodby
DOI: 10.1039/C4CP00172A, Paper

Understanding the superior photocatalytic activity of noble metals modified titania under UV and visible light irradiation
Ali Bumajdad and Metwally Madkour
DOI: 10.1039/C3CP54411G, Perspective

Mechanistic insight into highly efficient gas permeation and separation in a shape-persistent ladder polymer membrane
Jianhai Zhou, Xiang Zhu, Jun Hu, Honglai Liu, Ying Hu and Jianwen Jiang
DOI: 10.1039/C3CP55498H, Paper

A unified model for surface electrocatalysis based on observations with enzymes
Suzannah V. Hexter, Thomas F. Esterle and Fraser A. Armstrong
DOI: 10.1039/C3CP55230F, Perspective

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This week’s HOT article

Take a look at this week’s HOT article, which is free to access for a limited time: Graphical abstract: Photo-active and dynamical properties of hematite (Fe2O3)–water interfaces: an experimental and theoretical study

Photo-active and dynamical properties of hematite (Fe2O3)–water interfaces: an experimental and theoretical study
Niall J. English, Mahfujur Rahman, Nitin Wadnerkar and J. M. D. MacElroy
DOI: 10.1039/C3CP54700K, Paper

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Top 10 most-read PCCP articles – Q4 2013

The following articles in PCCP were the top 10 most accessed from October – December:

Vibronic coupling density analysis for the chain-length dependence of reorganization energies in oligofluorenes: a comparative study with oligothiophenes
Motoyuki Uejima, Tohru Sato, Kazuyoshi Tanaka and Hironori Kaji
Phys. Chem. Chem. Phys., 2013,15, 14006-14016
DOI: 10.1039/C3CP51592C, Paper

Density functional theory for transition metals and transition metal chemistry
Christopher J. Cramer and Donald G. Truhlar
Phys. Chem. Chem. Phys., 2009,11, 10757-10816
DOI: 10.1039/B907148B, Review Article

Electric-double-layer field-effect transistors with ionic liquids
Takuya Fujimoto and Kunio Awaga
Phys. Chem. Chem. Phys., 2013,15, 8983-9006
DOI: 10.1039/C3CP50755F, Perspective

Titania supported gold nanoparticles as photocatalyst
Ana Primo, Avelino Corma and Hermenegildo García
Phys. Chem. Chem. Phys., 2011,13, 886-910
DOI: 10.1039/C0CP00917B, Perspective

Nitrile groups as vibrational probes of biomolecular structure and dynamics: an overview
Beth A. Lindquist, Kristina E. Furse and Steven A. Corcelli
Phys. Chem. Chem. Phys., 2009,11, 8119-8132
DOI: 10.1039/B908588B, Perspective

Characterization of nanostructured hybrid and organic solar cells by impedance spectroscopy
Francisco Fabregat-Santiago, Germà Garcia-Belmonte, Iván Mora-Seró and Juan Bisquert
Phys. Chem. Chem. Phys., 2011,13, 9083-9118
DOI: 10.1039/C0CP02249G, Perspective

Carrier dynamics in quantum-dot sensitized solar cells measured by transient grating and transient absorption methods
Naotaka Maeda, Hiroaki Hata, Naoya Osada, Qing Shen, Taro Toyoda, Shota Kuwahara and Kenji Katayama
Phys. Chem. Chem. Phys., 2013,15, 11006-11013
DOI: 10.1039/C3CP51542G, Paper

Recent advances in visible-light-responsive photocatalysts for hydrogen production and solar energy conversion – from semiconducting TiO2 to MOF/PCP photocatalysts
Yu Horiuchi, Takashi Toyao, Masato Takeuchi, Masaya Matsuoka and Masakazu Anpo
Phys. Chem. Chem. Phys., 2013,15, 13243-13253
DOI: 10.1039/C3CP51427G, Perspective
From themed collection Physical chemistry at the cross-road of advanced oxide materials

Nanomagnetism study of highly-ordered iron oxide nanocrystal assemblies fabricated by the Langmuir–Blodgett technique
HaiTao Zhang, NiNa Bao, Du Yuan and Jun Ding
Phys. Chem. Chem. Phys., 2013,15, 14689-14695
DOI: 10.1039/C3CP52060A, Paper

Graphene CVD growth on copper and nickel: role of hydrogen in kinetics and structure
Maria Losurdo, Maria Michela Giangregorio, Pio Capezzuto and Giovanni Bruno
Phys. Chem. Chem. Phys., 2011,13, 20836-20843
DOI: 10.1039/C1CP22347J, Paper

We hope you enjoyed reading the articles – please sign up for the free PCCP table of contents e-alerts to make sure you keep up to date with the latest research being published in the journal

On behalf of the Editorial Board of PCCP, we invite you to submit your best research to us today!

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This week’s HOT articles

Take a look at this week’s HOT articles, which are free to access for a limited time: Graphical abstract: Yet another criticality of water

Recent developments in the application of nanomaterials to understanding molecular level processes in cobalt catalysed Fischer–Tropsch synthesis
S. K. Beaumont
DOI: 10.1039/C3CP55030C, Perspective

Unexpected effects of the alteration of structure and stability of myoglobin and hemoglobin in ammonium-based ionic liquids
Indrani Jha, Pankaj Attri and Pannuru Venkatesu
DOI: 10.1039/C3CP54398F, Paper

Yet another criticality of water
Kazuhiro Himoto, Masakazu Matsumoto and Hideki Tanaka
DOI: 10.1039/C3CP54726D, Communication

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This week’s HOT articles

Take a look at this week’s HOT articles, which are free to access for a limited time: Graphical abstract: Unveiling mode-selected electron–phonon interactions in metal films by helium atom scattering

Electrodeposition from supercritical fluids
P. N. Bartlett, D. A. Cook, M. W. George, A. L. Hector, J. Ke, W. Levason, G. Reid, D. C. Smith and W. Zhang
DOI: 10.1039/C3CP54955K, Perspective

Fatty acid droplet self-division driven by a chemical reaction
I. Derényi and I. Lagzi
DOI: 10.1039/C3CP54676D, Paper

Computational modeling of single- versus double-anchoring modes in di-branched organic sensitizers on TiO2 surfaces: structural and electronic properties
Joaquín Calbo, Mariachiara Pastore, Edoardo Mosconi, Enrique Ortí and Filippo De Angelis
DOI: 10.1039/C3CP54970D, Paper

Trends in electrochemical CO2 reduction activity for open and close-packed metal surfaces
Chuan Shi, Heine A. Hansen, Adam C. Lausche and Jens K. Nørskov
DOI: 10.1039/C3CP54822H, Paper

The cyclic ground state structure of the HF trimer revealed by far infrared jet-cooled Fourier transform spectroscopy
P. Asselin, P. Soulard, B. Madebène, M. Goubet, T. R. Huet, R. Georges, O. Pirali and P. Roy
DOI: 10.1039/C3CP55047H, Paper

Melt-infiltration of spiro-OMeTAD and thermal instability of solid-state dye-sensitized solar cells
Colin D. Bailie, Eva L. Unger, Shaik M. Zakeeruddin, Michael Grätzel and Michael D. McGehee
DOI: 10.1039/C4CP00116H, Paper

Protonic defects in yttria stabilized zirconia: incorporation, trapping and migration
James A. Dawson, Hungru Chen and Isao Tanaka
DOI: 10.1039/C4CP00021H, Paper

Unveiling mode-selected electron–phonon interactions in metal films by helium atom scattering
G. Benedek, M. Bernasconi, K.-P. Bohnen, D. Campi, E. V. Chulkov, P. M. Echenique, R. Heid, I. Yu. Sklyadneva and J. P. Toennies
DOI: 10.1039/C3CP54834A, Perspective

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This week’s HOT articles

Take a look at this week’s HOT articles, which are free to access for a limited time: Graphical abstract: Ultrafast polyene dynamics: the ring opening of 1,3-cyclohexadiene derivatives

Current challenges in atomistic simulations of glasses for biomedical applications
Antonio Tilocca
DOI: 10.1039/C3CP54913E, Perspective

In situ X-ray powder diffraction studies of hydrogen storage and release in the Li–N–H system
Joshua W. Makepeace, Martin O. Jones, Samantha K. Callear, Peter P. Edwards and William I. F. David
DOI: 10.1039/C4CP00087K, Paper

Lipid charge regulation of non-specific biological ion channels
Vicente M. Aguilella, Carmina Verdiá-Báguena and Antonio Alcaraz
DOI: 10.1039/C3CP54690J, Perspective

Ultrafast polyene dynamics: the ring opening of 1,3-cyclohexadiene derivatives
Brenden C. Arruda and Roseanne J. Sension
DOI: 10.1039/C3CP54767A, Perspective

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Centrifuge spectroscopy probes extreme rotational states: PCCP article in Chemistry World

A new spectroscopic technique for studying electronically excited molecules at very high angular momentum has been developed and tested by scientists in Canada.

The team, from the University of British Columbia, headed by Valery Milner, have used an optical centrifuge to excite oxygen to rotational states that otherwise can’t be reached. An optical centrifuge combines two laser pulses to create an intense electric field which undergoes angular acceleration to drive molecules into the remarkable angular momentum states. The super rotation state reached for oxygen in the study is equivalent to heating the molecule to 50,000K, a temperature that is too hot for the molecule to survive. A spectroscopic technique called resonance-enhanced multi-photon ionisation was combined with the centrifuge and by carefully controlling and calibrating the rotational speed of the centrifuge a spectrum can be viewed as a two-dimensional function of photon energy and angular momentum.

‘It greatly simplifies the spectra,’ says Aleksey Korobenko, the lead scientist on this study. ‘Even when the photon energy branches are overlapping, you can track one by one the rotational peaks which you can’t otherwise separate out.’

Interested to know more?

Read the full article by Rachel Wood in Chemistry World here…

Read the article in PCCP:

Rotational spectroscopy with an optical centrifuge
Aleksey Korobenko, Alexander A. Milner, John W. Hepburn and Valery Milner
Phys. Chem. Chem. Phys., 2014, Advance Article
DOI: 10.1039/C3CP54598A, Paper

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