Author Archive

CrystEngComm’s 2012 impact factor

crystengcommThe 2012 Journal Citation Reports® have just been released and CrystEngComm has received its impact factor of 3.88.

We would like to thank all our authors, referees and readers who have contributed to this success, as well as the hard work from our Editorial and Advisory Board members to make this journal an important resource in the field of crystal engineering.

The successes of all of RSC journals’ in the recent impact factor release can be found here, highlighting the quality of our publications.

Check out our journal hompage for the latest news in the design and understanding of solid-state and crystalline materials, or submit your paper to us to ensure that it gets the attention it deserves.

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Improving stability in the solid state by forming conjugate acid-base pairs

Posted on behalf of Gwenda Kyd, web writer for CrystEngComm 

The stability and other properties of compounds in the solid state are important considerations when considering their potential uses. Two strategies commonly followed to enhance desirable properties are to form co-crystals (crystals containing more than one type of neutral molecule) and to form salts (ionic crystals). In both cases, the new crystal forms generated have different properties than the parent compounds. For example, forming a salt of a drug molecule often improves its solubility, hence making it more bioavailable. Salts, however, often have problematic properties including deliquescence (i.e. absorbing water until they dissolve). 

A new paper shows how co-crystals can be formed between ionic and neutral forms of the same molecule (conjugate acid-bases, or CABs) which are more stable than the parent molecule. The molecules studied are benzoic acids, salts of which are used as preservatives in the food and pharmaceutical industry. However, they are hygroscopic and degrade in air. Formation of CAB co-crystals significantly improves their stability, particularly at high relative humidity (RH), as shown in the figure below. X-ray crystal structures of the CAB co-crystals show formation of strong short hydrogen bonds between the components. The authors postulate that this interaction is more favourable than the interaction with water, and is the root of the improved stability. 

Improved solid-state stability of salts by cocrystallization between conjugate acid – base pairs

Moisture sorption profiles of (a) sodium benzoate (mono salt), 3, sodium dihydrogen tris(benzoate) (CAB cocrystal), 4, and (b) potassium benzoate (mono salt), 5, and potassium hydrogen bis(benzoate) (CAB cocrystal), 6.

Find out more from the paper: 

Improved solid-state stability of salts by cocrystallization between conjugate acid–base pairs
Sathyanarayana Reddy Perumalla and Changquan Calvin Sun
CrystEngComm, 2013, DOI: 10.1039/C3CE40593A 


Gwenda Kyd

Gwenda Kyd has a PhD in metallocarborane chemistry from the University of Edinburgh. Other research work includes the spectroscopic study of the structure of glasses and organometallic electron-transfer reactions and the preparation of new inorganic phosphors. Currently she works as a scientific database editor.
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Past, Present and Future of Crystallography conference

The Past, Present and Future of Crystallography conference was held in Milan from 6th-7th June this year. CrystEngComm sponsored two poster prizes, and the winners were JingXiang Lin from Politechnico di Milano, Italy, with his poster titled  ‘Structural Studies of Supramolecular Gyroscope-like Co-crystals‘; and Nadia Marino from Università della Calabria, Italy, with her poster titled ‘A Voyage In The B Vitamins World: B6 As Novel Ligand In Cluster Chemistry And New Discoveries In The Field Of B12 Crystallography‘.

Congratulations to JingXiang and Nadia, and I hope all the conference attendees had a great time!

JingXiang LinNadia Marino

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Tunable synthesis of PbS semiconductor nanocrystals

Posted on behalf of Gwenda Kyd, web writer for CrystEngComm

PbS nanocrystals have potential use in the construction of nanodevices such as optical switches, solar cells and infra-red light-emitting devices. As their physical and chemical properties depend on their size and shape, preparing monodisperse crystals (i.e. crystals with the same size and shape) in a reliable and tunable way is important. Usually synthesis is carried out at high temperatures but a new paper challenges this traditional thinking, showing how successful synthesis can be carried out at much lower temperatures.

Nanocrystals were successfully prepared with mixing temperatures as low as -20°C, from solid precursors. Below 40°C the nature of the alkylamine(s) used in the synthesis is a highly influential factor in determining the shape (kinetic effect). Above this temperature, it is the subsequent ripening temperature which has a greater influence (thermodynamic effect). The ripening temperature determines the ultimate shape of the crystals, but the size is also influenced by the mixing temperature and alkylamine(s) used. Utilising the competing factors involved is shown to provide a facile route to size-tunable but shape-permanent PbS nanocrystals.

The results are summarised in the figure below:

Shape-controlled synthesis of PbS nanostructures from -20 to 240 °C: the competitive process between growth kinetics and thermodynamics

 

Find out more from the paper:

Shape-controlled synthesis of PbS nanostructures from −20 to 240 °C: the competitive process between growth kinetics and thermodynamics
Yingnan Wang, Xinyi Yang, Guanjun Xiao, Bo Zhou, Bingbing Liu, Guangtian Zou and Bo Zou
CrystEngComm, 2013, Advance Article
DOI: 10.1039/C3CE40337H, Paper


Gwenda KydGwenda Kyd has a PhD in metallocarborane chemistry from the University of Edinburgh. Other research work includes the spectroscopic study of the structure of glasses and organometallic electron-transfer reactions and the preparation of new inorganic phosphors. Currently she works as a scientific database editor.

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HOT articles for June

Role of epitaxy-mediated transformation in Ostwald’s step rule: a theoretical study
Natsuki Niekawa and Masao Kitamura

CrystEngComm, 2013, Advance Article
DOI: 10.1039/C3CE40582F, Paper

Role of epitaxy-mediated transformation in Ostwald's step rule: a theoretical study

Free to access until 23rd July


ZnO nanorods/Ag nanoparticles heterostructures with tunable Ag contents: A facile solution-phase synthesis and applications in photocatalysis
Zhengcui Wu, Chengrong Xu, Yaqin Wu, Hao Yu, Yang Tao, Hao Wan and Feng Gao

CrystEngComm, 2013, Advance Article
DOI: 10.1039/C3CE40753E, Paper

ZnO nanorods/Ag nanoparticles heterostructures with tunable Ag contents: A facile solution-phase synthesis and applications in photocatalysis

Free to access until 23rd July


Solvent controlled assembly of four Mn(II)-2,5-thiophenedicarboxylate frameworks with rod-packing architectures and magnetic properties
Yan-Xi Tan, Yan-Ping He, Ying Zhang, Yan-Jun Zheng and Jian Zhang

CrystEngComm, 2013, Advance Article
DOI: 10.1039/C3CE40677F, Paper

Solvent controlled assembly of four Mn(II)-2,5-thiophenedicarboxylate frameworks with rod-packing architectures and magnetic properties

Free to access until 23rd July

 


A general and eco-friendly self-etching route to prepare highly active and stable Au@metal silicate yolk-shell nanoreactors for catalytic reduction of 4-nitrophenol
Kai Dong, Zhen Liu and Jinsong Ren

CrystEngComm, 2013, Advance Article
DOI: 10.1039/C3CE40350E, Paper

A general and eco-friendly self-etching route to prepare highly active and stable Au@metal silicate yolk-shell nanoreactors for catalytic reduction of 4-nitrophenol

Free to access until 19th July


Effect of substrate pre-treatment on controllable synthesis of hexagonal WO3 nanorod arrays and their electrochromic properties
Feng Zheng, Hui Lu, Min Guo and Mei Zhang 

CrystEngComm, 2013, Advance Article
DOI: 10.1039/C3CE40494C, Paper

Effect of substrate pre-treatment on controllable synthesis of hexagonal WO3 nanorod arrays and their electrochromic properties

Free to access until 19th July 


Hierarchical porous hydroxyapatite microsphere as drug delivery carrier
Hui Yang, Lijing Hao, Naru Zhao, Chang Du and Yingjun Wang 

CrystEngComm, 2013, Advance Article
DOI: 10.1039/C3CE40710A, Communication 

Hierarchical porous hydroxyapatite microsphere as drug delivery carrier  

Free to access until 19th July

 
 


Enhanced dielectric properties of (Ba,Sr)TiO3//Ba(Zr,Ti)O3 heterostructures with optimized structure design
Ming Liu, Jian Liu, Chunrui Ma, Gregory Collins, Chonglin Chen, Andy D. Alemayehu, Guru Subramanyam, Jie He, Jiechao Jiang, Efstathios I. Meletis and Amar Bhalla 

CrystEngComm, 2013, Advance Article
DOI: 10.1039/C3CE27106D, Communication 

Enhanced dielectric properties of (Ba,Sr)TiO3//Ba(Zr,Ti)O3 heterostructures with optimized structure design  

Free to access until 17th July 


VGCF-core@LiMn0.4Fe0.6PO4-sheath heterostructure nanowire for high rate Li-ion batteries
Koichi Kagesawa, Eiji Hosono, Masashi Okubo, Jun Kikkawa, Daisuke Nishio-Hamane, Tetsuichi Kudo and Haoshen Zhou 

CrystEngComm, 2013, Advance Article
DOI: 10.1039/C3CE40289D, Communication 

VGCF-core@LiMn0.4Fe0.6PO4-sheath heterostructure nanowire for high rate Li-ion batteries  

Free to access until 17th July 


Microscale pin holders of β-Co(OH)2 and LiCoO2 having a single-crystalline feature
Keisuke Nakajima, Yuya Oaki and Hiroaki Imai 

CrystEngComm, 2013, Advance Article
DOI: 10.1039/C3CE40688A, Paper 

Microscale pin holders of β-Co(OH)2 and LiCoO2 having a single-crystalline feature  

Free to access until 10th July 


Reactant ratio-modulated entangled Cd(II) coordination polymers based on rigid tripodal imidazole ligand and tetrabromoterephthalic acid: interpenetration, interdigitation and self-penetration
Lei Wang, Zhi-Hao Yan, Zhenyu Xiao, Dong Guo, Wenqiang Wang and Yu Yang 

CrystEngComm, 2013, Advance Article
DOI: 10.1039/C3CE40273H, Paper 

Reactant ratio-modulated entangled Cd(II) coordination polymers based on rigid tripodal imidazole ligand and tetrabromoterephthalic acid: interpenetration, interdigitation and self-penetration  

Free to access until 10th July 


Crystal structure, properties and nanostructuring of a new layered chalcogenide semiconductor, Bi2MnTe4
Dong Sun Lee, Tae-Hoon Kim, Cheol-Hee Park, Chan-Yeup Chung, Young Soo Lim, Won-Seon Seo and Hyung-Ho Park 

CrystEngComm, 2013, Advance Article
DOI: 10.1039/C3CE40643A, Paper 

Crystal structure, properties and nanostructuring of a new layered chalcogenide semiconductor, Bi2MnTe4  

Free to access until 3rd July 


Top-down fabrication of hematite mesocrystals with tunable morphologies
Jinguang Cai, Suyue Chen, Jun Hu, Zhi Wang, Yurong Ma and Limin Qi 

CrystEngComm, 2013, Advance Article
DOI: 10.1039/C3CE40414E, Communication 

 Top-down fabrication of hematite mesocrystals with tunable morphologies  

Free to access until 3rd July

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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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