Archive for the ‘News’ Category

Recent HOT articles in PCCP

Check out the following HOT articles, these have all been made free to access for a limited time:

Graphical Abstract
Structure and energetics of the anisole–Arn (n = 1, 2, 3) complexes: high-resolution resonant two-photon and threshold ionization experiments, and quantum chemical calculations

Federico Mazzoni, Maurizio Becucci, Jan Řezáč, Dana Nachtigallová, François Michels, Pavel Hobza and Klaus Müller-Dethlefs
Phys. Chem. Chem. Phys., 2015, 17, 12530-12537
DOI: 10.1039/C5CP01166C

Oxygen diffusion in single crystal barium titanate
Markus Kessel, Roger A. De Souza and Manfred Martin
Phys. Chem. Chem. Phys., 2015, 17, 12587-12597
DOI: 10.1039/C5CP01187F

Vibrational control of electron transfer reactions: A feasibility study for the fast coherent transfer regime
P. Antoniou, Z. Ma, P. Zhang, D. N. Beratan and S. S. Skourtis
Phys. Chem. Chem. Phys., 2015, Advance Article
DOI: 10.1039/C5CP00610D

Three-dimensional sp2-hybridized carbons consisting of orthogonal nanoribbons of graphene and net C
Meng Hu, Xu Dong, Bingchao Yang, Bo Xu, Dongli Yu and Julong He
Phys. Chem. Chem. Phys., 2015, 17, 13028-13033
DOI: 10.1039/C5CP01621E
Graphical Abstract
Two-dimensional electronic-vibrational spectra: modeling correlated electronic and nuclear motion
F. Terenziani and A. Painelli
Phys. Chem. Chem. Phys., 2015, 17, 13074-13081
DOI: 10.1039/C5CP01485A

Self-assembly and coverage dependent thermally induced conformational changes of Ni(II)-meso-tetrakis (4-tert-butylphenyl) benzoporphyrin on Cu(111)
Liang Zhang, Michael Lepper, Michael Stark, Dominik Lungerich, Norbert Jux, Wolfgang Hieringer, Hans-Peter Steinrück and Hubertus Marbach
Phys. Chem. Chem. Phys., 2015, 17, 13066-13073
DOI: 10.1039/C5CP01490E

Gas-phase chemistry of technetium carbonyl complexes
Yang Wang, Zhi Qin, Fang-Li Fan, Hiromitsu Haba, Yukiko Komori, Shi-Wei Cao, Xiao-Lei Wu and Cun-Min Tan
Phys. Chem. Chem. Phys., 2015, 17, 13228-13234
DOI: 10.1039/C5CP00979K

Generating hydrated electrons through photoredox catalysis with 9-anthrolate
Christoph Kerzig and Martin Goez
Phys. Chem. Chem. Phys., 2015, 17, 13829-13836
DOI
: 10.1039/C5CP01711D

Hybrid nanostructures for SERS: materials development and chemical detection
Sara Fateixa, Helena I. S. Nogueira and Tito Trindade
Phys. Chem. Chem. Phys., 2015, Advance Article
DOI: 10.1039/C5CP01032B

Is seven the minimum number of water molecules per ion pair for assured biological activity in ionic liquid–water mixtures?
Hiroyuki Ohno, Kyoko Fujita and Yuki Kohno
Phys. Chem. Chem. Phys., 2015, Advance Article
DOI: 10.1039/C5CP00768B

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Awards for Achievements in Physical Chemistry

PCCP is pleased to announce that the winners of the 2014 awards for achievements in physical chemistry, received their prizes on 5th May 2015 at the University of Birmingham. Professor Helen Fielding of UCL presented these awards on behalf of the Faraday Division.The winners of the 2015 awards have now also been announced.

The 2014 winners:

Harrison-Meldola Memorial Prizes 2014 Winner – David Glowacki, University of Bristol/Stanford University

Bourke Award 2014 Winner – Professor Ann McDermott, Columbia University

Chemical Dynamics Award 2014 Winner – Professor Andrew Orr-Ewing, University of Bristol

Liversidge Award 2014 Winner – Professor Michael Ashfold, University of Bristol

Left: Andrew Orr-Ewing, Helen Fielding, David Golwacki and Michael Ashfold

Right: Ann McDermott and Helen Fielding

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Why does a lobster change colour when you cook it?

When you cook a lobster you will see a striking colour transformation from dark blue to orange-pink and until now, the cause for this has been subject to debate.  Although the presence of astaxanthin, a carotenoid, is known to be responsible for the change, a recent PCCP article has shed light on exactly how.

In an international collaboration, Dr. John Halliwell at the University of Manchester and his group, have found that astaxanthin is present as a negatively charged enolate ion in the uncooked blue lobster. On heating, the enolate bonds break down and release orange-pink astaxanthin causing the colour change. This discovery has been made as a result of the combined interdisciplinary expertise in physical organic, biological and theoretical chemistry as well as spectroscopy.

Interested to know more?

Read the full article in Chemistry World by William Bergius.

Or, take a look at the original Open Access research article:

On the origin and variation of colours in lobster carapace, Shamima Begum, Michele Cianci, Bo Durbeej, Olle Falklöf, Alfons Hädener, John R. Helliwell, Madeleine Helliwell, Andrew C. Regan and   C. Ian F. Watt, Phys. Chem. Chem. Phys., 2015, DOI: 10.1039/C4CP06124A



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Paul von Ragué Schleyer, 1930–2014

Credit: U of Georgia

Paul von Ragué Schleyer, a leading figure in physical organic chemistry, died on November 21st at his home in Georgia, USA. Schleyer pioneered the use of computational chemistry in characterizing new and widely used concepts and made vast contributions to a broad range of physical organic, organometallic, inorganic, and theoretical chemistry topics.

‘Paul Schleyer was one of the greatest chemists of the 20th century’, says Herbert Mayr, from Ludwig Maximilian University of Munich, Germany. ‘Paul’s impact on Organic Chemistry is only inadequately reflected by the impressive numbers of articles he had published. Of even greater importance was his influence on the thinking of a countless number of scientists who discussed with him their projects, collaborated with him, or just attended his lectures.’

Schleyer attended Princeton University gaining an A.B. degree in Chemistry in 1951, followed by Harvard University where he received a Ph.D. in physical organic chemistry under Paul Bartlett in 1957. In 1976 Schleyer moved to the University of Erlangen-Nuremberg, in Germany and became a frequent speaker at international meetings, forming close relationships with many chemists with whom he would continue to maintain an active correspondence. Schleyer extended his career well past the mandatory retirement age in Germany and continued to contribute to the field as Graham Perdue Professor at the University of Georgia.

PCCP would like to send our deepest condolences to Paul Schleyer’s family and colleagues.

Is C60 buckminsterfullerene aromatic?
Zhongfang Chen,  Judy I. Wu,   Clémence Corminboeuf,  Jonathan Bohmann,  Xin Lu,  Andreas Hirsch and  Paul von Ragué Schleyer
Phys. Chem. Chem. Phys., 2012,14, 14886-14891

D 3h CN3Be3+ and CO3Li3+: viable planar hexacoordinate carbon prototypes
Yan-Bo Wu, Yan Duan, Gang Lu, Hai-Gang Lu, Pin Yang, Paul von Ragué Schleyer, Gabriel Merino, Rafael Islas and Zhi-Xiang Wang
Phys. Chem. Chem. Phys., 2012,14, 14760-14763

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PCCP Impact Factor rises to 4.19

We are delighted to announce that PCCP’s Impact Factor* has increased to 4.19.pccp cover

PCCP has a large and truly international readership, which spans many communities in the broad fields of physical chemistry, chemical physics and biophysical chemistry.

With fast publication times and great author service, PCCP remains the ideal home for high-quality research.

We thank all of our authors, referees and Board members for their continued support of the journal.

We invite you to submit your next high-quality paper to PCCP.

Read more about the 2013 Impact Factors from across RSC Publishing on the RSC Publishing Blog.

*The Impact Factor provides an indication of the average number of citations per paper. Produced annually, Impact Factors are calculated by dividing the number of citations in a year by the number of citeable articles published in the preceding two years. Data based on 2013 Journal Citation Reports®, (Thomson Reuters, 2014).

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Diamonds are an explosive’s best friend – PCCP article in Chemistry World

Scientists from China have coated the high energy explosive RDX (hexahydro-1,3,5-trinitro-1,3,5-triazine) with nanodiamonds in an attempt to make safer explosives.

The group, led by Yi Tong, from the Beijing Institute of Technology, prepared detonation nanodiamonds by detonating a mixture of TNT and RDX in a closed metallic chamber. Detonation nanodiamonds are known to have excellent Diamonds are an explosive’s best friend - © Shutterstockmechanical properties, including high thermal conductivity and electrical resistivity, whilst being chemically reactive but also environmentally benign. RDX was coated with different proportions of nanodiamonds to try to stabilise the explosive. This is important as you don’t want explosives to detonate if they are accidently heated when in storage.

By studying the thermodynamics of the resulting composites, the group found that nanodiamond coatings of between 1/7 and 1/5 of the mass of the RDX led to composites that were more stable than RDX alone, but that were more reactive than composites with thinner coatings. They also found that increasing the nanodiamond ratio to more than 1/3 of the mass of the RDX hindered the decomposition of the material.

Interested to know more?

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

Read the article in PCCP:

The effect of a detonation nanodiamond coating on the thermal decomposition properties of RDX explosives
Yi Tong, Rui Liu and Tonglai Zhang
Phys. Chem. Chem. Phys., 2014, Advance Article
DOI: 10.1039/C4CP02237H

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Applications open for the 2015 Gordon F. Kirkbright Bursary Award

The Gordon F. Kirkbright bursary award is a prestigious annual award that enables a promising student/non-tenured young scientist of any nation to attend a recognised scientific meeting or visit a place of learning.

The fund for this bursary was established in 1985 as a memorial to Professor Gordon Kirkbright in recognition of his contributions to analytical spectroscopy and to science in general. Although the fund is administered by the Association of British Spectroscopists (ABS) Trust, the award is not restricted to spectroscopists.

Applications are invited for the 2015 Gordon Kirkbright Bursary.

For further information contact John Chalmers by email: vibspecconsult@aol.com

The closing date for entries is 31 December 2014.

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PCCP – Weizmann mini symposium: 1st April 2014

Join us for the upcoming joint Physical Chemistry Chemical Physics (PCCP) – Weizmann Institute of Science mini-symposium on Tuesday 1st April 2014.

The event is free to attend for all delegates and no registration is necessary.

More details of the exciting programme can be found below.

PCCP Weizmann Mini Symposium advert

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Insights into “carbon bonds” highlighted

Schematic of proposed "carbon bond"The work of PCCP Advisory Board member Professor Elangannan Arunan on noncovalent bonding interactions has been highlighted in the latest Edition of Chemical & Engineering News. The so-called “carbon bonds” have been suggested as the force behind the hydrophobic effect.

You can find the full details of this fascinating research here:

The X–CY (X = O/F, Y = O/S/F/Cl/Br/N/P) ‘carbon bond’ and hydrophobic interactions
Devendra Mani and E. Arunan
DOI: 10.1039/C3CP51658J

The C&EN article also discusses the important work of Professor T. N. Guru Row’s group which very recently appeared in Chemical Communications on X-ray data which provides experimental evidence of the effect:

Experimental evidence for ‘carbon bonding’ in the solid state from charge density analysis
Sajesh P. Thomas, Mysore S. Pavan and T. N. Guru Row
DOI: 10.1039/C3CC47226D

And while you are at it, check out the PCCP Perspective by Peter Politzer et al. which provides an overview of this area:

Halogen bonding and other σ-hole interactions: a perspective
Peter Politzer, Jane S. Murray and Timothy Clark
DOI: 10.1039/C3CP00054K

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Rewarding Excellence, Gaining recognition

The Royal Society of Chemistry’s Prizes and Awards recognise achievements by individuals, teams and organisations in advancing the chemical sciences. There are over 80 Prizes and Awards available covering all areas of the chemical sciences.

You still have time to make your nomination before the deadline on 15th January 2014

As well as the cash prize of up to £5,000 and an inscribed medal , all Prize and Award winners are given the opportunity to present their work to the wider community by giving lectures at several universities around the UK.

Prizes are available in the categories various categories, including Biosciences, Environment, Sustainability and Energy, Materials Chemistry, Physical Chemistry and Industry & Technology.

Please nominate someone or be nominated by a Royal Society of Chemistry member by visiting

http://www.rsc.org/ScienceAndTechnology/Awards/2014-RSC-Prizes-Awards.asp

The publicity associated with my RSC Award resulted in the increased recognition for all my great colleagues who contributed and supported this programme over the years.” Monica Papworth

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