Archive for October, 2011

Hot Article: Polar polymorph with potential

In their recent CrystEngComm Hot Article, Xutang Tao and colleagues report the successful growth of bulk α-BaTe-Mo2O9 polar single crystals using a top-seeded solution growth method. The search for new polar materials is of current interest owing to their potentially important functional properties including piezoelectricity, pyroelectricity, ferroelectricity and secondharmonic generation activity.Indeed these large crystals offer a promising candidate for optical devices such as light modulators, colour filters, wave plates and
optical axis gratings.
Find out more about this polar polymorph by reading the article – free to access until 24 November 2011.

Bulk crystal growth and characterization of a new polar polymorph of BaTeMo2O9: α-BaTeMo2O9
Junjie Zhang, Zhonghan Zhang, Youxuan Sun, Chengqian Zhang and Xutang Tao
CrystEngComm, 2011, DOI: 10.1039/C1CE05922J

 

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Hot Article: Making IMP-15

Scientists from Imperial College London, UK have made a novel hexacarboxylate organo-silicon molecule and used it in the construction of IMP-15–a Metal Organic Framework (MOF) material with pcu topology which is isoreticular to MOF-5 but with half the metal loading. Read more about IMP-15 in their recent Hot Communication in CrystEngComm:

An organosilicon hexacarboxylic acid and its use in the construction of a novel metal organic framework isoreticular to MOF-5
Robert P. Davies, Paul D. Lickiss, Karen Robertson and Andrew J. P. White
CrystEngComm, 2012, DOI: 10.1039/C1CE06091K

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Hot Article: Erratic aspirin crystallisation

In their recent CrystEngComm Hot Article, Katarzyna Solanko and Andrew Bond, from the University of Southern Denmark, looked at solution crystallisations of 5-X-aspirin (X = ¼ Cl, Br) to investigate if the polymorphism was affected by the presence of analgous aspirin anhydride species. The group show that small changes in temperature when the compound is being made can lead to erratic and apparently irreproducible crystallisation results, especially if the impurities remain undetected.

Read the article itself for FREE, until mid-November, to find out more.

Influence of impurities on the crystallisation of 5-X-aspirin and 5-X-aspirin anhydride polymorphs (X = Cl, Br, Me)
Katarzyna A. Solanko and Andrew D. Bond.
CrystEngComm, 2011, DOI: 10.1039/C1CE06065A

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Gautam Desiraju reveals his favourite space group!

Professor Gautam Desiraju was born in Madras, India, and received his B.Sc. at the University of Bombay, India, in 1972. He was awarded his Ph.D. from the University of Illinois at Urbana-Champaign, USA, in 1976. After two years at Eastman Kodak Company, Rochester, New York, USA, he joined the faculty at the University of Hyderabad, India. He left the University of Hyderabad in 2009 and is currently at the Solid State and Structural Chemistry Unit, Indian Institute of Science, Bangalore. He was recently was elected President of the International Union of Crystallography (IUCr) during the IUCr General Assembly in Madrid, Spain for the triennium 2011-2014.
 
Prof. Desiraju was one of the founder members of the CrystEngComm Editorial Board and has also served on the Editorial Advisory Board of ChemComm. His 1989 book on crystal engineering and 1995 review in Angewandte Chemie on supramolecular synthons redefined several aspects of the subject of crystal engineering, and in particular led to an emphasis on the study of hydrogen bonds and other intermolecular interactions.  
 
Why did you want to become a scientist?
I always liked chemistry, I was fascinated by it. During my first lab experiment in chemistry I remember thinking I didn’t want to do anything else. I was very lucky that I had the opportunity to do what I liked.

What projects are you working on at the moment?
So many projects that I have lost count! Currently I have at least 10-15 projects underway in my group. We are very excited about nanoindentation, which is a new technique that allows us to experimentally compare the interaction strengths and monitor anisotropy of molecular crystals. This requires a very good student as it is a very laborious process – you need to know the faces of the crystal really well.

What do you think will be the next big breakthrough in your field?
If I knew what it was, I would be doing it! The beauty of scientific research is that you never know. If you could predict the next breakthrough, everyone would have gotten there!

How do you think Crystal Engineering will develop in the next couple of years?
There is no doubt that crystal engineering has spread far and wide. Unlike other areas in crystallography, it has attracted lots of people and interest, even though it is hard. Big ideas in chemistry are sustained when there is commercial application because this brings in money to attract research. Crystal engineering is very lucky as areas like metal-organic frameworks and pharmaceuticals are very big and have lots of money, and so there is lots of interest. The commercial applications and the challenge are an irresistible temptation. No subject addressed by the both the RSC and ACS can be small.

According to the evolutionary model it is the survival of the fittest, and so the not so good areas of science will die out because of the lack of support. These are not good times for science, and we do need to worry about it. However, the future is very bright for crystal engineering, as the pharmaceutical industry sustains the organic research, and the chemical industry sustains the metal-organic framework research.

What is the most rewarding aspect of your work?
Just the fun of doing it! Scientists like me are very lucky as we work with young people all the time, which keeps both the scientist and the young person active. Other careers such as medicine, police, etc. are not so happy because they are not exposed to young people as much, but we are fortunate enough to see the ‘innocence of life’ all the time.

What is the secret to a successful research group?
This really depends on the personality of the research advisor, because they are the central person in the group. As the manager it is their role to get the best output possible out of the team depending on how they motivate the people around them. It is a very fine balance between happiness and productivity. There should be an abundance of both in every research group.

What achievement are you most proud of?
Pride is a bad word. All scientists like to do their own thing. Serious scientists would do this irrespective of anything. It is best when you do it for yourself and it interests your peers. For my plenary at the IUCr Congress in Madrid I specifically kept the material to be recent, and even though there was a large lecture hall full of people at 9am on the last day of the conference, I could have easily have given that talk to myself, as it gives me the greatest happiness to explore my work.

What advice would you give to a young scientist?
Go have fun in the lab. Be bold and do what you like to. Let go of inhibition and remember that your training is only a platform so you don’t do nonsense. Research is highly individual, and you have to do your own thing. Think like this from the very beginning.

What would you do if you weren’t a scientist?
I would have studied history or sociology.

What is your favourite space group and why?
P21/c  with Z’=1 (not 0.5 + 0.5), because this is the norm, and merits no further consideration. Anything else needs a chemical explanation, as this condition requires no chemistry. What is not P21/c with Z’=1 is crystal engineering/me.

What was your first crystal structure?
It was horrible! I did my PhD in the US in 1975, and we had to hand-centre the reflections before data collection! It was hard work and lots of effort to turn arcs on this enormous machine. The structure was in Pbca with a c-axis of 44Å and very close spots. I was baptised by fire! You never forget the first!
 
 Find out more about Gautam Desiraju on his webpage at the Solid State and Structural Chemistry Unit, Indian Institute of Science, Bangalore
 
Read some of Gautam’s exciting research in the following articles:
 
Shape and size mimicry in the design of ternary molecular solids: towards a robust strategy for crystal engineering
S. Tothadi, A. Mukherjee and Gautam R. Desiraju
Chem. Commun., 2011, Advance Article
DOI: 10.1039/C1CC14567C
 
Drug-drug co-crystals: Temperature-dependent proton mobility in the molecular complex of isoniazid with 4-aminosalicylic acid
Pawel Grobelny, Arijit Mukherjee and Gautam R. Desiraju
CrystEngComm, 2011, 13, 4358-4364
From themed issue Dynamic behaviour and reactivity in crystalline solids
 
Nature and strength of C–H···O interactions involving formyl hydrogen atoms: computational and experimental studies of small aldehydes
Tejender S. Thakur, Michael T. Kirchner, Dieter Bläser, Roland Boese and Gautam R. Desiraju
Phys. Chem. Chem. Phys., 2011, 13, 14076-14091
From themed issue Weak hydrogen bonds – strong effects?

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HOT Article: Role of anions in coordination polymer structure

In this HOT Article, two new phenyl-bridged pseudopeptidic ligands have been prepared and structurally characterised. The nature of the ligands’ substituents play an important role in the nature of the solid state structure yielding either hydrogen bonded linked sheets of molecules or infinite hydrogen bonded networks. To investigate this further, these ligands were reacted with a range of zinc(II) salts with the aim of synthesising coordination polymers and networks; the role of anions in determining the final structure was explored.

Read more for FREE about the role of anions in coordination polymer structure until the 9th December 2011 at:

Zinc(II) coordination polymers with pseudopeptidic ligands
Vicente Martí-Centelles, D. Krishna Kumar, Andrew J. P. White, Santiago V. Luis and Ramon Vilar
CrystEngComm, 2011, Advance Article
DOI: 10.1039/C1CE05872J

Keep up to date with the latest news and research in solid-state and crystalline materials: sign up to the CrystEngComm e-alert,  follow us on Twitter, and like us on Facebook.

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Top ten most accessed articles in September

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

Three porous metal–organic frameworks based on an azobenzenetricarboxylate ligand: synthesis, structures, and magnetic properties 
Miao Meng, Di-Chang Zhong and Tong-Bu Lu 
CrystEngComm, 2011, Advance Article DOI: 10.1039/C1CE05817G

Coordination assemblies of Co ii /Ni ii /Mn ii /Zn ii with 1,1′-biphenyl-2,2′-dicarboxylic acid and three positional isomeric ligands: structural diversity and properties 
Fu-Ping Huang, He-Dong Bian, Qing Yu, Jin-Lei Tian, Hong Liang, Shi-Ping Yan, Dai-Zheng Liao and Peng Cheng 
CrystEngComm, 2011, 13, 6538-6548 DOI: 10.1039/C1CE05562C

Post-deposition annealing control of phase and texture for the sputtered MoO3 films 
Wei-Che Chang, Xiaoding Qi, Jui-Chao Kuo, Shih-chin Lee, Sio-Kei Ng and Delphic Chen 
CrystEngComm, 2011, 13, 5125-5132 DOI: 10.1039/C1CE05214D  

One-pot self-assembly of flower-like Cu2S structures with near-infrared photoluminescent properties 
Na Li, Xiaoling Zhang, Shutang Chen, Wen Yang, Huaizhi Kang and Weihong Tan 
CrystEngComm, 2011, 13, 6549-6554 DOI: 10.1039/C1CE05603D  

Two azido-bridged copper(ii) coordination polymers with isonicotinate-N-oxide and picolinate-N-oxide acting as co-ligands 
Qian Gao, Ya-Bo Xie, Melissa Thorstad, Ji-Hong Sun, Yue Cui and Hong-Cai Zhou 
CrystEngComm, 2011, Advance Article DOI: 10.1039/C0CE00914H  

Synthesis, structural characterization and properties of Ag(i)-complexes based on double-armed 1,3,4-oxadiazole bridging ligands 
Gui-Ge Hou, Yan Wu, Jian-Ping Ma and Yu-Bin Dong 
CrystEngComm, 2011, Advance Article DOI: 10.1039/C1CE05718A 

Topological variability of Zn(ii) and Co(ii) 3D coordination polymers obtained through solvothermal in situ disulfide cleavage 
Yang Bu, Feilong Jiang, Shuquan Zhang, Jie Ma, Xingjun Li and Maochun Hong 
CrystEngComm, 2011, 13, 6323-6326 DOI: 10.1039/C1CE05592E  

A hydrogen bonded cocrystal with an unusual interweaving between the adjacent triple-helices 
Amit Delori and William Jones 
CrystEngComm, 2011, 13, 6315-6318 DOI: 10.1039/C1CE05534H  

Packing incentives and a reliable N–HN–pyridine synthon in co-crystallization of bipyridines with two agrochemical actives
Elisa Nauha, Erkki Kolehmainen and Maija Nissinen 
CrystEngComm, 2011, 13, 6531-6537 DOI: 10.1039/C1CE05730H  

Synthesis of mono-dispersed m-BiVO4 octahedral nano-crystals with enhanced visible light photocatalytic properties 
Mandi Han, Xiaofeng Chen, Ting Sun, Ooi Kiang Tan and Man Siu Tse 
CrystEngComm, 2011, Advance Article DOI: 10.1039/C1CE05539A  

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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HOT Article: Fitting a 3 pin plug into a 2 pin socket

This HOT Article, describes the structural analysis of  four new compounds and of known structures of related compounds revealing preferred
interaction geometries between tris-ethylenediamine metal cations and the oxalate dianion. These components have a mismatch in shape: the H-bond donor having three D–H groups and a three-fold character, while the acceptor can only present two accepting groups and has a two-fold character. This
clear conflict of symmetry between the H-bond donor and the H-bond acceptor moieties results in a compromised interaction in which we frequently observe a side-on interaction with the oxalate and the formation of uncommon bifurcated H-bonds. This interaction ranges from being quite symmetric with two similar H…O interactions, to an asymmetric situation with one short and one long H…O interaction.

Read more for FREE until the 9th December at:

Recurrent H-bond graph motifs between metal tris-ethylenediamine cations and uncoordinated oxalate anions: Fitting a three pin plug into a two pin socket
Tony D. Keene, Michael B. Hursthouse and Daniel J. Price
CrystEngComm, 2011, Advance Article
DOI: 10.1039/C1CE05837A

Keep up to date with the latest news and research in solid-state and crystalline materials: sign up to the CrystEngComm e-alert,  follow us on Twitter, and like us on Facebook.

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HOT Article: Unique assembled NaYF4 nanostructures

In this HOT article, Chinese researchers report the synthesis and properties of spherical assemblies of NaYF4 nanocrystals via a facile solution-based method. Their novelty lies in the unique structural geometry of the NaYF4 assemblies attached together along one specific crystalline orientation. The impact of organic additives such as citric acid and polyvinylpyrrolidone on the crystal growth was investigated in detail and a possible formation mechanism is also proposed. This interesting hierarchical structure not only offers a high surface area and easy modification surface, but also provides a new efficient host for doping various lanthanide ions to give strong down- or up-conversion emissions. It is anticipated that these unique assembled NaYF4 nanostructures will serve as biolabels in various biomedical applications.

Read more about these interesting nanostructures for FREE until the 9th December 2011.

Facile synthesis and properties of spherical assemblies of NaYF4 nanocrystals with consistent crystalline orientation
Zhengquan Li, Zeye Wang, Limin Wang and Haisheng Qian
CrystEngComm, 2011, Advance Article
DOI: 10.1039/C1CE05827D

Keep up to date with the latest news and research in solid-state and crystalline materials: sign up to the CrystEngComm e-alert,  follow us on Twitter, and like us on Facebook.

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October Crystal Clear: Fifty Faces

A crystal with 50, yes 50!, facets features in this month’s Crystal Clear. The image was created by Zhimao Yang and colleagues at Xi’an Jiaotong University, Xi’an in China from their work in a paper in Issue 20 of CrystEngComm.

The group made these highly symmetric polyhedral 50-facet structures using Cu2O via a facile seed-mediated solution phase route. The formation of these polyhedral architectures provides us with a great opportunity to understand the fundamental significance of high-index facets, in catalytic applications for example.

Looks a bit like a jade bead to me – perhaps there is a possibility of a pretty nanonecklace here if this group can string them together!

Read the full article for FREE to find out more…
Seed-mediated synthesis of polyhedral 50-facet Cu2O architectures
Shaodong Sun, Dongchu Deng, Chuncai Kong, Yang Gao, Shengchun Yang, Xiaoping Song, Bingjun Ding and Zhimao Yang
CrystEngComm, 2011, 13, 5993-5997 DOI: 10.1039/C1CE05243H

Keep up to date with the latest news and research in solid-state and crystalline materials: sign up to the CrystEngComm e-alert,  follow us on Twitter, and like us on Facebook.

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HOT Article: Nanocrystals with tunable band gap

In this HOT article, Chinese researchers have demonstrated for the first time that ternary cation-alloyed PbSnS nanocrystals could be synthesized via a facile solution-based routine. The mean diameters of the as-prepared nanocrystals ranged from 6–15 nm. Several interesting variations on the crystal structure and band gap energy were indicated. The results could potentially have a high impact on IV-VI quantum dots based optoelectronic applications in the future.

Read more about these interesting nanocrystals for FREE until the 1st November 2011 at:

Synthesis of ternary PbxSn1−xS nanocrystals with tunable band gap
Hao Wei, Yanjie Su, Shangzhi Chen, Yang Lin, Zhi Yang, Huai Sun and Yafei Zhang
CrystEngComm, 2011, Advance Article
DOI: 10.1039/C1CE05999H

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