PCCP Blog

The field of ionic liquids has seen phenomenal growth in recent years, with the topic spanning a variety of disciplines across the chemical sciences. The recent themed issues from ChemComm, PCCP and CrystEngComm showcase some of the latest developments from a range of scientific subjects utilising the unique properties of ionic liquids.

Highlights from these themed issues include the articles below, which are free to download until the 24th August. You can also access the full themed issues by clicking on the buttons above.

Click here to access the full list of articles

Physical Chemistry Chemical Physics (PCCP) is delighted to announce a forthcoming high-profile themed issue on “Theory meets Spectroscopy”, with Guest Editors Manfred M. Kappes and Willem M. Klopper, Karlsruhe Institute of Technology (KIT).

This will be the official themed issue of the international Bunsentagung 2013 meeting on the same theme organised by the Deutsche Bunsen-Gesellschaft (DBG) which takes place in May 2013, Karlsruhe, Germany. Free copies of the themed issue will be available at the meeting, maximising the visibility and profile of all published papers.

We invite you to submit a high quality manuscript of original, unpublished research with a focus on quantum chemical methodology for spectroscopy or on the interplay between theory and experiment in spectroscopic studies in the gas or condensed phase.

Deadline for submissions: 30 November 2012

All submissions will be subject to rigorous peer review to meet the high standards of PCCP. When you submit your article, please indicate that it is for the themed issue.

The invited speakers at the meeting include Mike Ashfold (Bristol), Tobias Brixner (Würzburg), Dominik Marx (Bochum), Frank Neese (Mülheim) and Martin Wolf (Berlin). For further speakers and details about the meeting visit the website.

PCCP has very strong links with the Bunsentagung and the DBG is a co-owner of PCCP. PCCP has published a themed issue on the Bunsentagung hauptthema for the past several years:

• Ionic Liquids 2012
• Ultrafast Photon-Induced Reactions 2011
• Interfacial Systems Chemistry 2010
• Physical Chemistry of Solids 2009

We hope you will be able to contribute to this exciting issue.

With our best wishes

Manfred Kappes and Wim Klopper
Guest Editors

Jane Hordern
Deputy Editor, PCCP

PCCP is delighted to announce the online publication of Issue 30 which includes a themed collection on New Insights into Organic Chemistry from Forefront Physical Measurements, guest edited by Barry Carpenter, Cardiff University, UK.

The outside front cover features an article on the Direct measurement of Criegee intermediate (CH₂OO) reactions with acetone, acetaldehyde, and hexafluoroacetone by Craig A. Taatjes, Oliver Welz, Arkke J. Eskola, John D. Savee, David L. Osborn, Edmond P. F. Lee, John M. Dyke, Daniel W. K. Mok, Dudley E. Shallcross and Carl J. Percival.

This themed collection contains a broad range of articles including the highlighted Editorial and Perspective below:

New insights into organic chemistry from forefront physical measurements
Barry K. Carpenter
Phys. Chem. Chem. Phys., 2012, 14, 10376-10376
DOI: 10.1039/C2CP90109A

Ultrafast time resolved studies of the photochemistry of acyl and sulfonyl azides
Jacek Kubicki ,  Yunlong Zhang ,  Jiadan Xue ,  Hoi Ling Luk and Matthew Platz
Phys. Chem. Chem. Phys., 2012, 14, 10377-10390
DOI: 10.1039/C2CP40226B

Issue 30 also includes these additional high-profile Perspectives from PCCP’s broad scope:

• Rate constants and mechanisms of intrinsically disordered proteins binding to structured targets
  Huan-Xiang Zhou ,  Xiaodong Pang and Cai Lu
  Phys. Chem. Chem. Phys., 2012, 14, 10466-10476
  DOI: 10.1039/C2CP41196B
• Sub-nm resolution depth profiling of the chemical state and magnetic structure of thin films by a depth-resolved X-ray absorption spectroscopy technique
  Kenta Amemiya
  Phys. Chem. Chem. Phys., 2012, 14, 10477-10484
  DOI: 10.1039/C2CP41085K
• Adsorption of DNA onto gold nanoparticles and graphene oxide: surface science and applications
  Juewen Liu
  Phys. Chem. Chem. Phys., 2012, 14, 10485-10496
  DOI: 10.1039/C2CP41186E
• Self-healing superhydrophobic materials
  Leonid Ionov and Alla Synytska
  Phys. Chem. Chem. Phys., 2012, 14, 10497-10502
  DOI: 10.1039/C2CP41377A

Take a look at the issue today!

Ionic liquids are pretty self explanatory; they are ionic materials in a liquid state. In a ‘normal’ liquid, interactions are usually governed by Van de Waals or H-bonding forces. In ionic liquids it is ionic bonding interactions which dominate, meaning ionic liquids possess some interesting and unique properties.

The field of ionic liquids grew after Paul Walden’s observations of ethylammonium nitrate in 1914,¹ since then the study and use of ionic liquids has grown phenomenally, with applications in analytics, biology, electrochemistry, physical chemistry, engineering, solvents and catalysis.

The academic and industrial interest in ionic liquids has thrown up some remarkable discoveries, particularly in recent years, so to keep you up to date with latest break-through research in the field we have collected these high quality articles which are free to access!*

Click here for the full list of free articles

PCCP is delighted to present issue 25 which includes a collection of articles on the theme of Hydrogen bonding in electronically excited states, Guest Edited by Guang-Jiu Zhao and Ke-Li Han (Dalian Institute of Chemical Physics, China).

Hydrogen bonding has been recognized as an important interest in recent research due to its prevalence and fundamental importance in various branches of science in the past century.

To complement the 2011 PCCP themed issue on ‘Weak Hydrogen Bonds – Strong Effects?‘, this themed issue will focus on hydrogen bonding in electronically excited states, which play an increasingly important role in many photo-physical processes and photochemical reactions.

The two cover images were provided by Krishnamoorthy and colleagues with the Perspective on excited state intramolecular charge transfer and Jeffrey Reimers and Zheng-Li Cai highlighting their Perspective on the hydrogen bonding and reactivity of water to azines.

As well as high quality new research, the issue also contains a collection of high-profile Perspective review articles:

The role of hydrogen bonding in excited state intramolecular charge transfer
Francis A. S. Chipem, Anasuya Mishra and G. Krishnamoorthy
DOI: 10.1039/C2CP23879A

Hydrogen bonding and reactivity of water to azines in their S1 (n,π*) electronic excited states in the gas phase and in solution
Jeffrey R. Reimers and Zheng-Li Cai
DOI: 10.1039/C2CP24040H

Excited state intramolecular proton transfer (ESIPT): from principal photophysics to the development of new chromophores and applications in fluorescent molecular probes and luminescent materials
Jianzhang Zhao, Shaomin Ji, Yinghui Chen, Huimin Guo and Pei Yang
DOI: 10.1039/C2CP23144A

Excited state dynamics and catalytic mechanism of the light-driven enzyme protochlorophyllide oxidoreductase
Nigel S. Scrutton, Marie Louise Groot and Derren J. Heyes
DOI: 10.1039/C2CP23789J

Hydrogen bonding of excited states in supramolecular host–guest inclusion complexes
Brian D. Wagner
DOI: 10.1039/C2CP40310B

PCCP themed issue: Plasmonics and Spectroscopy

Guest Editors: Pablo Etchegoin (Victoria University of Wellington, New Zealand), Richard Van Duyne (Northwestern University, USA)

PCCP is delighted to announce the high-profile themed issue ‘Plasmonics and Spectroscopy”. It is our pleasure to invite you to submit an article for this themed issue.

The themed issue will be published in PCCP in 2013. It will receive great exposure, and get significant promotion.

Deadline for Submissions: 1st November 2012

The symbiosis between plasmonics and spectroscopy has seen an enormous progress in the last ten years. The ability to produce tailor-made plasmonic substrates to enhance different types of spectroscopic signals (from small changes in optical absorption in surface-plasmon resonance spectroscopy, to controlled nano-gaps for single molecule detection in SERS) is ever increasing in breadth and sophistication. This experimental progress is accompanied and supplemented by large amount of theoretical work, which is aimed at understanding the enhancement factors, propagation, localisation, and coupling of plasmon resonances in nano-structures. This issue will cover all aspects (experimental and theoretical) where plasmonics is used as an aid to optical spectroscopy in its broadest definition.

Topics covered by this themed issue include:
• Surface plasmon resonance spectroscopy (SPR)
• Surface-enhanced fluorescence (SEF)
• Surface-enhanced Raman scattering (SERS)
• Design and characterisation of plasmonic structures for spectroscopy
• Theoretical aspects of plasmonics for spectroscopy
• Biological applications
• Applied topics of ultra-sensitive spectroscopy via plasmonics.

Manuscripts can be submitted in any reasonable format using our online submissions service.

Submissions should be high quality manuscripts and will be subject to rigorous peer review.

Please indicate upon submission that your manuscript is intended for this themed issue.

We are pleased to announce the online publication of our PCCP themed issue on Fragment and localized orbital methods in electronic structure theory.

The issue was Guest Edited by Gregory J. O. Beran from the University of California and So Hirata from the University of Illinois at Urbana-Champaign

This themed issue on Fragment and localized orbital methods in electronic structure theory contains a broad range of articles including the following Perspectives:

• Exploring chemistry with the fragment molecular orbital method
  Dmitri G. Fedorov, Takeshi Nagata and Kazuo Kitaura
  Phys. Chem. Chem. Phys., 2012, 14, 7562-7577
  DOI: 10.1039/C2CP23784A
• Practical quantum mechanics-based fragment methods for predicting molecular crystal properties
  Shuhao Wen, Kaushik Nanda, Yuanhang Huang and Gregory J. O. Beran
  Phys. Chem. Chem. Phys., 2012, 14, 7578-7590
  DOI: 10.1039/C2CP23949C
• Comparison of explicitly correlated local coupled-cluster methods with various choices of virtual orbitals
  Christine Krause and Hans-Joachim Werner
  Phys. Chem. Chem. Phys., 2012, 14, 7591-7604
  DOI: 10.1039/C2CP40231A
• Wavefunction-based electron correlation methods for solids
  Carsten Müller and Beate Paulus
  Phys. Chem. Chem. Phys., 2012, 14, 7605-7614
  DOI: 10.1039/C2CP24020C
• CRYSCOR: a program for the post-Hartree–Fock treatment of periodic systems
  Cesare Pisani, Martin Schütz, Silvia Casassa, Denis Usvyat, Lorenzo Maschio, Marco Lorenz and Alessandro Erba
  Phys. Chem. Chem. Phys., 2012, 14, 7615-7628
  DOI: 10.1039/C2CP23927B
• How does it become possible to treat delocalized and/or open-shell systems in fragmentation-based linear-scaling electronic structure calculations? The case of the divide-and-conquer method
  Masato Kobayashi and Hiromi Nakai
  Phys. Chem. Chem. Phys., 2012, 14, 7629-7639
  DOI: 10.1039/C2CP40153C
• An elongation method for large systems toward bio-systems
  Yuriko Aoki and Feng Long Gu
  Phys. Chem. Chem. Phys., 2012, 14, 7640-7668
  DOI: 10.1039/C2CP24033E

 Take a look at the issue today!