Archive for May, 2013

HOT articles for May

Nanoparticle-based crystal growth via multistep self-assembly
Qiang Zhou, Boyang Wang, Peijie Wang, Christoph Dellago, Yanting Wang and Yan Fang

CrystEngComm, 2013, Advance Article
DOI: 10.1039/C3CE40497H, Paper

Nanoparticle-based crystal growth via multistep self-assembly

Free to access until 25th June


Remineralization of dentin collagen by meta-stabilized amorphous calcium phosphate
Jianming Wang, Yi Chen, Li Li, Jian Sun, Xinhua Gu, Xurong Xu, Haihua Pan and Ruikang Tang

CrystEngComm, 2013, Advance Article
DOI: 10.1039/C3CE40449H, Paper

Remineralization of dentin collagen by meta-stabilized amorphous calcium phosphate

Free to access until 25th June


A series of tetranuclear-cluster-containing complexes based on pendent-arm macrocyclic ligand and different carboxylates: syntheses, structures, photoluminescence, and magnetic properties

Huan-Huan Chen, Jin Yang, Ying-Ying Liu and Jian-Fang Ma

CrystEngComm, 2013, Advance Article
DOI: 10.1039/C3CE40239H, Paper

A series of tetranuclear-cluster-containing complexes based on pendent-arm macrocyclic ligand and different carboxylates: syntheses, structures, photoluminescence, and magnetic properties

Free to access until 25th June


Linker extensions in metal–organic frameworks: a way to isoreticular networks or new topologies?
Daniela Frahm, Frank Hoffmann and Michael Fröba

CrystEngComm, 2013, Advance Article
DOI: 10.1039/C3CE40594J, Paper

Linker extensions in metal–organic frameworks: a way to isoreticular networks or new topologies?

Free to access until 25th June


Surface-migration driving uniform amorphous shell on crystalline nanowire: the case of SiC/SiOx core–shell nanowires
Z. L. Cai, G. Wang, B. Song, R. Wu, J. Li and J. K. Jian

CrystEngComm, 2013, Advance Article
DOI: 10.1039/C3CE40314A, Paper

Surface-migration driving uniform amorphous shell on crystalline nanowire: the case of SiC/SiOx core–shell nanowires

Free to access until 25th June


Enhanced photochromism of chromen-based colorants near silver nanorods in sol–gel matrix
Mei-Lin Ho, Bo-Jen Chi, Tzu-Yi Hung, Hua-Yang Liao, Jing-Chang Wang, Ting-Yi Wang and Jing-Jong Shyue

CrystEngComm, 2013, Advance Article
DOI: 10.1039/C3CE40293B, Paper

 Enhanced photochromism of chromen-based colorants near silver nanorods in sol–gel matrix

Free to access until 17th June


Crystal structures and binding studies of atovaquone and its derivatives with cytochrome bc1: a molecular basis for drug design
Susanta K. Nayak, Srijita Basu Mallik, Shankar Prasad Kanaujia, Kanagaraj Sekar, K. R. Ranganathan, V. Ananthalakshmi, G. Jeyaraman, S. S. Saralaya, K. Sundararaja Rao, K. Shridhara, K. Nagarajan and Tayur N. Guru Row

CrystEngComm, 2013, Advance Article
DOI: 10.1039/C3CE40336J, Paper

Crystal structures and binding studies of atovaquone and its derivatives with cytochrome bc1: a molecular basis for drug design

Free to access until 17th June


Dendritic Y4O(OH)9NO3:Eu3+/Y2O3:Eu3+ hierarchical structures: controlled synthesis, growth mechanism, and luminescence properties
Qi Zhao, Hongpeng You, Wei Lü, Ning Guo, Yongchao Jia, Wenzhen Lv, Baiqi Shao and Mengmeng Jiao

CrystEngComm, 2013, Advance Article
DOI: 10.1039/C3CE40460A, Paper

Dendritic Y4O(OH)9NO3:Eu3+/Y2O3:Eu3+ hierarchical structures: controlled synthesis, growth mechanism, and luminescence properties

Free to access until 17th June


Positive {hk.l} and negative {hk.¯l} forms of calcite (CaCO3) crystal. New open questions from the evaluation of their surface energies
D. Aquilano, R. Benages-Vilau, M. Bruno, M. Rubbo and F. R. Massaro

CrystEngComm, 2013,15, 4465-4472
DOI: 10.1039/C3CE40203G, Paper

Positive {hk.l} and negative {hk.-l} forms of calcite (CaCO3) crystal.

Free to access until 17th June


 Toward chiral conductors: combining halogen bonding ability and chirality within a single tetrathiafulvalene molecule
Julien Lieffrig, Ronan Le Pennec, Olivier Jeannin, Pascale Auban-Senzier and Marc Fourmigué

CrystEngComm, 2013,15, 4408-4412
DOI: 10.1039/C3CE40393A, Communication

Toward chiral conductors: combining halogen bonding ability and chirality within a single tetrathiafulvalene molecule

Free to access until 17th June


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3D POM-silver complexes

Polyoxometalates (POMs) have been widely used as the inorganic component in metal-organic frameworks to construct structures with complex topologies for a variety of functions. These structures tend to be constructed from metal ions and N-containing ligands. Flexible N-donor ligands, such as the bis(triazole) ligands with different spacers of –(CH2)n– (where n = 2, 3, 4, 5, 6), offers even more advantages over their rigid counterparts as the flexibility enables them to form more complex structures.

In this paper, the authors synthesised four compounds based on the PW12O403-–AgI–bis(triazole) system to investigate how the different spacer lengths in the bis(triazole) ligands, and the reaction conditions such as pH and crystallisation time, has on the final topology of the structure. They also studied the electrochemical and photocatalytic properties of these structures, and obtained some very promising results.

The following are some of the fascinating structures that they made.

A series of 3D PW12O403--based AgI-bis(triazole) complexes containing different multinuclear loops: Syntheses, structures and properties

Find out more about them, and their synthetic methods, from the paper now:

A series of 3D PW12O403--based AgI–bis(triazole) complexes containing different multinuclear loops: syntheses, structures and properties
Xiuli Wang, Dan Zhao, Aixiang Tian and Jun Ying
CrystEngComm, 2013, Advance Article
DOI: 10.1039/C3CE40375K, Paper


Blog writer-Wendy Wendy is the Development Editor of CrystEngComm. She started working for the RSC in March 2013, after completing her PhD at the University of Cambridge.

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Improving lithium-ion batteries with lithium microspheres

Lithium ion batteries are widely used as portable sources of electric energy, from powering gadgets to cars. As such, there has been great interest in improving their performance, and one of the most promising routes is to use LiMPO4 (where M is either Mn or Fe) hierarchical structures in the battery electrodes. Nevertheless, a synthetic method that is both low cost and do not require harsh chemicals is still necessary for these structures to be used more widely in lithium ion batteries.

In this paper, the authors presented a method of synthesising LiMPO4microspheres via a solvothermal process in a solution of glycerol, citric acid and water. These microspheres had a 3D hierarchical structure, in which the larger spheres are either composed of nanoparticles(LiFePO4) or nanorods (LiMnPO4). They investigated the effects of changing the concentrations of the starting materials have on the morphology of the overall structure, and the growth mechanisms of the crystals. They also used the LiMPO4 microstructures as the cathode in a lithium ion battery set-up to measure their electrochemical properties.

The authors found that the microspheres had high reversible specific capacity and cycling performance, making them ideal candidates for use in batteries. This work opens up a cheap and safe route to manufacturing high performing lithium-ion batteries.

Synthesis of 3D-hiearchical LiMPO4 (M = Fe, Mn) microstructures as cathode materials for lithium-ion batteries

Read their article now to find out more:

Synthesis of 3D-hiearchical LiMPO4 (M = Fe, Mn) microstructures as cathode materials for lithium-ion batteries
Yuanxiang Gu, Weiming Liu, Lei Wang, Guicun Li and Yu Yang
CrystEngComm, 2013, Advance Article
DOI: 10.1039/C3CE00072A, Paper

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Be part of the CrystEngComm blogging team

Interested in science writing? Fancy seeing your work featured on the CrystEngComm blog?

We are currently looking for a web writer for our blog. The writer will cover the latest research published in the journal, interview leading researchers in the field and will keep the community updated with upcoming conferences and events.

If you’re interested and would like to be considered, please contact the CrystEngComm Editorial Office by 15th June. We will ask you to submit a sample writing piece.

This is a great opportunity to gain experience in science journalism. We look forward to hearing from you soon!

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New insights into the halogen bond from the Cambridge Structural Database

Supramolecular chemistry studies noncovalent bonding such as intermolecular interactions. One of these, the carbon-halogen bond, has generated much interest due to its applications in crystal engineering and drug design. Many statistical studies of chemical structures found in databases such as the Cambridge Structural Database (CSD) have been made in order to gain insight into molecules incorporating this bond.

In this paper, the authors present a new and more accurate method to analyse CSD data for molecules incorporating halogen atoms. This method has a more accurate angular correction, takes into account competitive supramolecular interactions of the halogen atom (e.g. hydrogen bonds), and also allows significant bond directionalities to be found.

Halogen bonding versus hydrogen bonding: what does the Cambridge Database reveal?

Find out more from their paper:

Halogen bonding versus hydrogen bonding: what does the Cambridge Database reveal?
Tiddo J. Mooibroek and Patrick Gamez
CrystEngComm, 2013, Advance Article
DOI: 10.1039/C3CE40285A, Paper

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Synthesis and luminescent properties of Yttrium-Vanadium submicrocrystals

YVO4 microcrystals have generated much interest due to their optical, thermal and mechanical properties, which make them useful in devices such as panel displays and lasers. However, most of the synthetic methods currently used are complex, and the crystals made are not very uniform or disperse.

In this paper, the authors have synthesised monodisperse YVO4:EU3+ submicrocrystals via a simple ethylene glycol assisted hydrothermal method. By fine-tuning the pH of the reaction solution, they were able to obtain various crystal morphologies, such as flower-like, spherical, and octahedral shapes. An investigation into the growth mechanism suggested that the growth happens via a three-step nucleation, oriented aggregation and ripening process.

The luminescent properties of the octahedral and spherical crystals were also carried out. The two forms had similar excitation and emission spectra, with a peak corresponding to red light, although the octahedral crystals had a much stronger intensity than spherical crystals.  The simple synthetic method, together with the emission characteristics of these monodisperse crystals make them good candidates for applications in optoelectronic devices.

Monodisperse YVO4:Eu3+ submicrocrystals: controlled synthesis and luminescence properties

Find out more from their article:

Monodisperse YVO4:Eu3+ submicrocrystals: controlled synthesis and luminescence properties
Baiqi Shao, Qi Zhao, Ning Guo, Yongchao Jia, Wenzhen Lv, Mengmeng Jiao, Wei Lü and Hongpeng You
CrystEngComm, 2013, Advance Article
DOI: 10.1039/C3CE00074E, Paper

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May Crystal Clear: Time to celebrate Spring with crystal champagne

May Crystal Clear: Time to celebrate the spring with crystal champagne

This month’s selection is wine bottled shaped single crystals of CaWO4. Grown by a team working on the CRESST dark matter detection project, these high-purity scintillating CaWO4 single crystals are used as detectors for Weakly Interacting Massive Particles (WIMPs), which are one of  the best candidates for dark matter.

To detect the elusive WIMPs, these crystals have to be of a very high purity and have fairly similar weights (approx. 300g). The high melting temperature (around 1600oC) of the crystal, as well as the fact that it has to be grown in an atmosphere containing oxygen, provided additional challenges to the growth process.

Starting with very high purity CaCO3 and WO3, the team used the Czochralski technique in an industrial furnace to produce these crystals. As the experiment requires the crystals to be transparent to scintillating light, the crystals were oxygenated at high temperatures after growth, which produced very clear crystals. (You can spot which one is the final product in the photo!)

The CRESST team has now adopted this technique to set up an in-house CaWO4 growing facility. This means the number of detectors that they can build has increased significantly. Watch out for interesting experimental results…

Find out more about the use of CaWO4 crystals in the dark matter experiment, and learn how to grow your own CaWO4 wine bottles from the article, which is free to access for 4 weeks.

Growth of high-purity scintillating CaWO4 single crystals for the low-temperature direct dark matter search experiments CRESST-II and EURECA
Andreas Erb and Jean-Côme Lanfranchi
CrystEngComm, 2013, 15, 2301-2304
DOI: 10.1039/C2CE26554K

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The most highly cited articles published in 2012

The following is a selection of the most cited articles published in CrystEngComm in 2012. Read what your peers have been referencing in their work.

The most highly cited articles published in 2012

A series of 1D, 2D and 3D coordination polymers based on a 5-(benzonic-4-ylmethoxy)isophthalic acid: syntheses, structures and photoluminescence
Ying-Ying Liu, Jing Li, Jian-Fang Ma, Ji-Cheng Ma and Jin Yang
CrystEngComm, 2012, 14, 169-177
DOI: 10.1039/C1CE05639E

Porous organic molecular materials
Jian Tian, Praveen K. Thallapally and B Peter McGrail
CrystEngComm, 2012, 14, 1909-1919
DOI: 10.1039/C2CE06457J

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

The role of mechanochemistry and supramolecular design in the development of pharmaceutical materials
Amit Delori, Tomislav Friščić and William Jones
CrystEngComm, 2012, 14, 2350-2362
DOI: 10.1039/C2CE06582G

Syntheses, crystal structures and photoluminescent properties of two novel Ag(I) coordination polymers with benzoguanamine and pyrazine-carboxylate ligands: From 1D helix to 1D to 2D interdigitation
Di Sun, Hong-Jun Hao, Fu-Jing Liu, Hai-Feng Su, Rong-Bin Huang and Lan-Sun Zheng
CrystEngComm, 2012, 14, 480-487
DOI: 10.1039/C1CE06089A

Self-assembled porous hierarchical-like CoO@C microsheets transformed from inorganic–organic precursors and their lithium-ion battery application
Jun Liu, Yichun Zhou, Chunping Liu, Jinbin Wang, Yong Pan and Dongfeng Xue
CrystEngComm, 2012, 14, 2669-2674
DOI: 10.1039/C2CE06497A

Axially chiral metal–organic frameworks produced from spontaneous resolution with an achiral pyridyl dicarboxylate ligand
Xin Tan, Jixian Zhan, Jianyong Zhang, Long Jiang, Mei Pan and Cheng-Yong Su
CrystEngComm, 2012, 14, 63-66
DOI: 10.1039/C1CE05995E

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

Highly interpenetrated diamondoid nets of Zn(II) and Cd(II) coordination networks from mixed ligands
Jian-Jr Cheng, Ya-Ting Chang, Chia-Jun Wu, Yi-Fen Hsu, Chia-Her Lin, Davide M. Proserpio and Jhy-Der Chen
CrystEngComm, 2012, 14, 537-543
DOI: 10.1039/C1CE06019H

A series of coordination polymers based on 5-(2-carboxybenzyloxy) isophthalic acid and bis(imidazole) ligands: syntheses, topological structures and photoluminescent properties
Wei-Qiu Kan, Jian-Fang Ma, Ying-Ying Liu and Jin Yang
CrystEngComm, 2012, 14, 2316-2326
DOI: 10.1039/C2CE06176G

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Top ten most accessed articles in March

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

Controlled strategy to synthesize SnO2 decorated SnS2 nanosheets with enhanced visible light photocatalytic activity 
Xianlong Zhou, Tengfei Zhou, Juncheng Hu and Jinlin Lia   
CrystEngComm, 2012,14, 5627-5633 
DOI: 10.1039/C2CE25309G    

A zwitterionic metal–organic framework with free carboxylic acid sites that exhibits enhanced hydrogen adsorption energies 
Marianne B. Lalonde, Rachel B. Getman, Jeong Yong Lee, John M. Roberts, Amy A. Sarjeant, Karl A. Scheidt, Peter A. Georgiev, Jan P. Embs, Juergen Eckert, Omar K. Farha, Randall Q. Snurr and Joseph T. Hupp   
CrystEngComm, 2013, Advance Article 
DOI: 10.1039/C3CE40198G    

Synthesis of graphene–ZnO nanorod nanocomposites with improved photoactivity and anti-photocorrosion 
Zhang Chen, Nan Zhang and Yi-Jun Xu   
CrystEngComm, 2013,15, 3022-3030 
DOI: 10.1039/C3CE27021A    

An unusual highly connected 3D net with hydrophilic pore surface 
Huabin Zhang, Ping Lin, Guodong Zou, Xiaochen Shan, Fenglei Du and Shaowu Du  
CrystEngComm, 2013,15, 3016-3021 
DOI: 10.1039/C3CE26788A    

Construction of metal–organic coordination polymers derived from 4-substituted tetrazole–benzoate ligands: synthesis, structure, luminescence, and magnetic behaviors 
Jia-Yin Sun, Li Wang, Dao-Jun Zhang, Da Li, Yu Cao, Li-Ying Zhang, Shuang-Li Zeng, Guang-Sheng Pang, Yong Fan, Jia-Ning Xu and  Tian-You Song   
CrystEngComm, 2013,15, 3402-3411 
DOI: 10.1039/C2CE26793D    

Porous aromatic frameworks: Synthesis, structure and functions 
Teng Ben and Shilun Qiu   
CrystEngComm, 2013,15, 17-26 
DOI: 10.1039/C2CE25409C    

Stoichiometry, temperature, solvent, metal-directed syntheses of metal–organic frameworks based on flexible V-shaped methylenebis(3,5-dimethylpyrazole) and various aromatic dicarboxylate acids 
Xiang-Guang Guo, Wen-Bin Yang, Xiao-Yuan Wu, Qi-Kai Zhang, Lang Lin, RongMin Yu and Can-Zhong Lu   
CrystEngComm, 2013,15, 3654-3663 
DOI: 10.1039/C3CE00048F    

Homochiral metal–organic porous materials for enantioselective recognition and electrocatalysis 
Guangju Zhang, Hailiang Hu, Hao Li, Fangfang Zhao, Yang Liu, Xiaodie He, Hui Huang, Yan Xu, Ying Wei and Zhenhui Kang  
CrystEngComm, 2013,15, 3288-3291 
DOI: 10.1039/C3CE40162F    

Application of hierarchical TiO2 spheres as scattering layer for enhanced photovoltaic performance in dye sensitized solar cell 
Zhiyong Gao, Zhuangli Wu, Xiaomin Li, Jiuli Chang, Dapeng Wu, Pengfei Ma, Fang Xu, Shuyan Gao and Kai Jiang   
CrystEngComm, 2013,15, 3351-3358 
DOI: 10.1039/C3CE27098J    

Synthesis of LiNi0.5Mn1.5O4 and 0.5Li2MnO3–0.5LiNi1/3Co1/3Mn1/ 3O2 hollow nanowires by electrospinning 
Eiji Hosono, Tatsuya Saito, Junichi Hoshino, Yoshifumi Mizuno, Masashi Okubo, Daisuke Asakura, Koichi Kagesawa, Daisuke Nishio-Hamane, Tetsuichi Kudo and Haoshen Zhou  
CrystEngComm, 2013,15, 2592-2597 
DOI: 10.1039/C3CE26972H    

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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A new Associate Editor for CrystEngComm

We bid Professor Hongjie Zhang, who has joined the editorial board of CrystEngComm as an Associate Editor, a very warm welcome. Professor Zhang is based at the Changchun Institute of Applied Chemistry, where he is the director of the State Key Laboratory of Rare Earth Resources Utilization. His research interests include topics such as the synthesis and characterisation of rare earth compounds and transition metal oxides.

Some of his recent papers in CrystEngComm include:

Co2GeO4 nanoplates and nano-octahedrons from low-temperature controlled synthesis and their magnetic properties
CrystEngComm, 2012, 14, 7306-7311
DOI: 10.1039/C2CE25772F

Solvothermal synthesis of luminescent Eu(BTC)(H2O)DMF hierarchical architectures
CrystEngComm
, 2012, 14, 2914-2919
DOI: 10.1039/C2CE06572J

Self-assembled 3D flower-like hierarchical Fe3O4/KxMnO2 core–shell architectures and their application for removal of dye pollutants
CrystEngComm, 2012, 14, 2866-2870
DOI: 10.1039/C2CE06349B

From 29th April onwards, authors will be able to choose Hongjie as the Associate Editor when submitting to CrystEngComm.

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