Competing cocrystals: Hydrogen-bonding vs. Halogen-bonding

This article is HOT as recommended by the referees. And we’ve made it free to access for 4 weeks.

Tomislav Friscic and colleagues report a cocrystal system that bonds by either hydrogen or halogen bonding depending on the stoichiometric ratio of the two components of the crystal. Interactions within crystal structures such as hydrogen bonding, ionic bonds, van der Waals forces and pi-interactions determine a material’s structure and properties.

Stoichiometric ratio of methyldiphenylphosphine oxide and p-diiodotetrafluorobenzene determines whether the resulting cocrystal will display hydrogen or halogen bonds

Understanding these interactions and engineering crystals with specific structures is important, the ability to switch the  interaction between hydrogen and halogen bonds by altering the ratio of molecules is an interesting discovery and helps establish the role halogen bonds play in molecular self-assembly.

Switching between halogen- and hydrogen-bonding in stoichiometric variations of a cocrystal of a phosphine oxide
Se Ye Oh, Christopher W. Nickels, Felipe Garcia, William Jones and Tomislav Friščić

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Advisory Board Member Lee Cronin wins Corday Morgan Prize

Lee Cronin is the Gardiner Professor of Chemistry at the School of Chemistry, University of Glasgow and on the Advisory Board of CrystEngComm.

The RSC recognises outstanding members of the chemical science community through its wide range of awards, you can see the full list of RSC 2012 winners here.

Lee is recognized for his creative studies in the field of inorganic chemistry, specifically the self-assembly and self-organization of inorganic molecules and the engineering of complex systems leading to the emergence of system-level behaviours.

His award citation is for “his outstanding work on the self-assembly of inorganic molecules and the engineering of complex systems”. Congratulations Lee from all at CrystEngComm!

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CrystEngComm impact factor released!

CrystEngCommThe 2011 Journal Citation Reports ® (Thomson Reuters, 2012) have been released and CrystEngComm has received a 5 year impact factor* of 4.02 and an Immediacy Index** of 0.844, the highest Immediacy Index for any crystal engineering journal!

We would like to thank all our authors, readers and referees who have contributed towards this success. Our thanks also go to our Editorial and Advisory Board Members and our Associate Editors for all their hard work and dedication to the journal.

A full list of RSC successes can be found at the RSC Impact Factor release.

For more information about CrystEngComm, including how to submit your research, check out the journal homepage.

*A 5-year impact factor is the average number of times articles from a journal published in the past five years have been cited in the JCR year. It is calculated by taking the number of citations in the JCR year to articles published in the preceding 5 years and dividing by the number of articles published in the previous 5 years.

** The Immediacy Index is a measure of how topical and urgent work published in a scientific journal is. It is measured by dividing the number of citations made to articles in a journal in a given year by the number of citeable articles published in the journal for the same year.

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Halogen bonding themed issue – submit now

Submissions are now open for the CrystEngComm themed issue: Halogen bond: From self-assembly to materials and biomolecules.

The themed issue due to be published in 2013 is being guest edited by William Pennington (Clemson University), Giuseppe Resnati (Politecnico di Milano) and Mark Taylor (University of Toronto).

We are looking for manuscripts focused on theoretical and experimental studies of the physical, chemical, and biological phenomena and processes related to the design, growth, and application of crystalline materials wherein halogen bonding plays a key-role.

If you think you have something suitable then why not submit now or contact us for more information.

All manuscripts must be in accordance with CrystEngComm’s author guidelines and scope and will be peer-reviewed in the usual way. Inclusion in the themed issue is at the discretion of the guest editors.

Submission deadline: 23rd October 2012

 

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Top ten most accessed articles in May

This month sees the following articles in CrystEngComm that are in the top ten most accessed:-

Porous metal–organic framework based on a macrocyclic tetracarboxylate ligand exhibiting selective CO2 uptake
Wen-Yang Gao ,  Youhong Niu ,  Yao Chen ,  Lukasz Wojtas ,  Jianfeng Cai ,  Yu-Sheng Chen and Shengqian Ma
CrystEngComm, 2012, Advance Article    DOI: 10.1039/C2CE25484K

Coordination polymers, metal–organic frameworks and the need for terminology guidelines
Stuart R. Batten ,  Neil R. Champness ,  Xiao-Ming Chen ,  Javier Garcia-Martinez ,  Susumu Kitagawa ,  Lars Öhrström ,  Michael O’Keeffe ,  Myunghyun Paik Suh and Jan Reedijk
CrystEngComm, 2012,14, 3001-3004    DOI: 10.1039/C2CE06488J

NiO nanomaterials: controlled fabrication, formation mechanism and the application in lithium-ion battery
Jianmin Ma ,  Jiaqin Yang ,  Lifang Jiao ,  Yuhua Mao ,  Taihong Wang ,  Xiaochuan Duan ,  Jiabiao Lian and Wenjun Zheng
CrystEngComm, 2012,14, 453-459    DOI: 10.1039/C1CE05567D

Layer-by-layer assembly of supramolecular hexagonal blocks driven by CH–p and p–p interactions
Muhammad Moazzam Naseer and Shahid Hameed
CrystEngComm, 2012,14, 4247-4250    DOI: 10.1039/C2CE25118C

Recent advances in porphyrinic metal–organic frameworks: materials design, synthetic strategies, and emerging applications
Brandon J. Burnett ,  Paul M. Barron and Wonyoung Choe
CrystEngComm, 2012,14, 3839-3846    DOI: 10.1039/C2CE06692K

Synthesis of Mn3O4 nanowires and their transformation to LiMn2O4 polyhedrons, application of LiMn2O4 as a cathode in a lithium-ion battery
Xing Zhang ,  Zheng Xing ,  Yang Yu ,  Qianwen Li ,  Kaibin Tang ,  Tao Huang ,  Yongchun Zhu ,  Yitai Qian and Dong Chen
CrystEngComm, 2012,14, 1485-1489    DOI: 10.1039/C1CE06289A

Two unprecedented strontium(ii) and cadmium(ii) MOFs constructed from 2-naphthyl imidazole dicarboxylate ligand

Mengwei Guo ,  Nan Chen ,  Zhifang Yue ,  Yu Zhang and Gang Li
CrystEngComm, 2012, Advance Article    DOI: 10.1039/C2CE25314C

Stabilization of O–Mn–O clusters (Mn5) in three dimensionally extended MOF structures: synthesis, structure and properties
Saurav Bhattacharya ,  K. V. Ramanujachary ,  S. E. Lofland ,  Travis Magdaleno and Srinivasan Natarajan
CrystEngComm, 2012,14, 4323-4334    DOI: 10.1039/C2CE06386G

Two metal–organic frameworks with unique high-connected binodal network topologies: synthesis, structures, and catalytic properties
Guang-Hua Cui ,  Cui-Hong He ,  Cui-Huan Jiao ,  Jian-Chen Geng and Vladislav A. Blatov
CrystEngComm, 2012,14, 4210-4216    DOI: 10.1039/C2CE25264C

Controllable hydrothermal synthesis of manganese dioxide nanostructures: shape evolution, growth mechanism and electrochemical properties
Xiaochuan Duan ,  Jiaqin Yang ,  Haiyan Gao ,  Jianmin Ma ,  Lifang Jiao and Wenjun Zheng
CrystEngComm, 2012,14, 4196-4204    DOI: 10.1039/C2CE06587H

Why not take a look at the articles today and blog your thoughts and comments below.

Fancy submitting an article to CrystEngComm? Then why not submit to us today or alternatively email us your suggestions.

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Single-crystal study on brownmillerite type frameworks

This article is HOT as recommended by the referees. And we’ve made it free to access for 4 weeks.

Werner Paulus and colleagues report on studies into low temperature oxygen mobility in terms of anisotropic oxygen in brownmillerite type frameworks.  By using a floating zone method they were able to optimise the paramaters so as to obtain large and homogenous crystals of CaFeO2.5 that were essential for detailed structural and lattic dynamic studies.  Understanding oxygen mobility in non-stoichiometric perovskites will aid the development of electrolytes in solid-oxide fuel cells which currently work at high temperatures but low temperature conditions would be preferable.

Typical CaFeO2.5 crytals obtained in this study were 120 mm long and had a shiny, silver-blck surface with metallic luster.

Typical CaFeO2.5 crystals obtained in this study were 120 mm long and had a shiny, silver-black surface with metallic luster.

Download the paper to find out more…

Growth and characterization of large high quality brownmillerite CaFeO2.5 single crystals
Monica Ceretti, Andrea Piovano, Alain Cousson, Tanguy Berthier, Martin Meven, Giovanni Agostini, Jurg Schefer, Olivier Hernandez, Carlo Lamberti and Werner Paulus
CrystEngComm, 2012
DOI: 10.1039/C2CE25413A

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Crystal Engineering GRC 2012

No lions and tigers, but certainly bears!

Last week I attended the Gordon Research Conference in Crystal Engineering. This was my first GRC and I loved it! The meeting was held at Waterville Valley Resort in New Hampshire, USA which can be best described as something the Disney resorts would use to model their wildnerness lodge areas. The looming hills, rivers, New England-style cabins and prowling bears (unfortunately I didn’t spot any!) were the perfect backdrop to a meeting filled with excellent science and a great chance for colleagues from across the globe to catch up.

This year the conference was chaired by Robin Rogers (University of Alabama and Crystal Growth & Design Editor in Chief), with Vice Chairs Christer Aakeröy (Kansas State University and CrystEngComm Associate Editor) and Mike Zawarotko (University of South Florida and Crystal Growth & Design Associate Editor).

Following the two and a half hour coach journey from Boston, we were rushed into dinner which was quickly followed by the first of the evening lectures, marking the beginning of the meeting. The first session was nanocrystal-based with talks given by Helmut Coelfen and Christoph Janiak on using ultracentrifugation to analyse nanoparticles and ionic liquids to stabilise nanoparticles, respectively.

After kick-starting Day 2 with the obigliatory American waffles and maple syrup, I joined the morning session to hear Jennifer Swift deliver her presentation, providing insight into in vivo uric acid precipitation. Next up was Kraig Wheeler who described his recent work investigating quasiracemates, followed by Miguel Garcia-Garibay’s talk on performing photochemical reactions with nanocrystals. The evening session was of much more relective nature with Joel Bernstein looking back over the seminal work from the past decades. Gautam Desiraju talked on polymorphism, highlighting some of his recent nanoidentation work published in Chemical Science (see here for more).

Tuesday morning was dedicated to porous materials – Lee Cronin and Arunachalamr Ramanan delivered presentations on polyoxometallates and Shengqian Ma gave an overview on his latest work on metalloporphyrin frameworks – whilst the evening session was focused on conducting materials with talks by Marc Fourmigué and Hiroshi Yamamoto.

Poster sessions were held throughout the week and were a true reflection of the quality and the diversity of the talks. The CrystEngComm poster prize was awarded to Sajesh Thomas from Professor Guru Row’s research group at the Indian Institute of Science, Bangalore. His poster was entitled “Chalcogen Bonding in Crystal Engineering: Its Directing role in Isostructurality and Polymorphism.” Well done Sajesh!

I reluctantly left the conference on the Wednesday morning after excellent talks from Nair Rodriguez-Hornedo and Susan Bourne (who began her talk using penguins to describe different crystal symmetries!), but I have been assured that the science continued to “sparkle”…

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There’s still just time to register for Crystallisation – A Biological Perspective: Faraday Discussion 159

There’s still just time to register for Crystallisation – A  Biological Perspective: Faraday Discussion 159  – by the deadline date of 22 June.

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If you are working in the areas of biomineralisation, biomimetic crystallisation, nucleation or crystal growth, then you will benefit from joining this discussion with top experts in the field.

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Taking part in a Faraday Discussion means that your own work will get better known, as all research papers and comments are recorded for publication after the event.

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Registration is quick and simple via our online booking system, so act today.

Come and explore the controversial new evidence of pre-nucleation clusters and discuss this apparent divergence from classical nucleation theory.

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June Crystal Clear: Euro 2012 Crystal

A titanium microsphere, used as the starting material to make hollow whisker balls

With Euro 2012 now well under away this month’s crystal clear couldn’t be more apt – a crystal soccer ball. The paper, from Issue 12 of CrystEngComm, reports the generation of highly crystalline hollow whisker balls.

Using the KCl flux cooling method, the team were able to grow highly crystalline K2Ti6O13 whiskers from the centres of titanium microspheres. The ultra-long whiskers grew on a TiO2 layer, leaving the centre of the sphere hollow and creating a bi-layer hollow whisker ball structure.

The team also used Ti powders as a starting material for the flux process and found this produced significantly different structures, for more details of the teams procedure and some remarkable images of their unique balls, download their article below for free.

Growth of ultralong potassium titanate whiskers by the KCl flux method with metallic titanium materials
Sayaka Suzuki, Katsuya Teshima, Mizuho Kiyohara, Hideya Kamikawa, Kunio Yubuta, Toetsu Shishido and Shuji Oishi
CrystEngComm, 2012,14, 4176-4180
DOI: 10.1039/C2CE00010E

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Call for Papers: Covalent organic frameworks and related porous molecular materials

Submit before 22nd August and your work could be included in this upcoming themed issue!

COFsSubmissions are now open for our themed issue focusing on covalent organic frameworks (COFs) and closely-related materials such as porous molecular crystals, with Guest Editor Andy Cooper. Manuscripts concerning all aspects of these materials including synthesis, structure determination, theory, properties and applications are welcome.

To fit with the scope of the journal, the emphasis is on crystalline materials, although studies concerning the synthetic engineering of 3-D structure in amorphous networks, such as covalent organic polymers, might be appropriate for consideration providing that a clear link between molecular structure and extended structure is established.

The deadline for submissions is 22nd August 2012. Communications, full papers and Highlight are welcome and can be submitted online with a note specifying the manuscript it is intended for the themed issue.

Please note that all submissions are subject to the usual peer-review process and inclusion within the themed issue is subject to the manuscript fitting both the scope of the journal and the themed issue, if you have any questions about the issue or the journal please don’t hesitate contact the Editorial Office.

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