CrystEngComm Blog

This July saw the occasion of the 68th annual meeting of the American Crystallographers Association, held in Toronto. The event draws crystallographers and professionals in related fields from both academia and industry and features a packed schedule, including world-renowned keynote speakers. The CrystEngComm poster prize was awarded to Aristyo Soecipto, for his poster “Chiral Segregation of Space by Anionic Assemblies found in Tartramide-based Spiroborate Salts.“

Aristyo works in the group of Professor Ian D. Williams at the Hong Kong University of Science and Technology. CrystEngComm would like offer a hearty congratulations to Aristyo for his excellent poster presentation!

This month saw the occasion of the 3rd International Symposium on Halogen Bonding, held in Greenville, South Carolina and chaired by Professor Bill Pennington (Clemson University). The event was a huge success, attracting over 90 participants from 21 countries, who came to discuss the latest developments in this exciting field of crystal engineering. Covering topics ranging from fundamentals like the refinement of the σ- and π-hole model to applications in fields such as pharmaceuticals, catalysis, and functional materials, the discussions were broad and vibrant – in part due to a strong showing of early career researchers. Three such promising academics presented in a special Rising Stars session, which CrystEngComm was pleased to support.  

Presenting in this session was (pictured, left-to-right) Rafael Nunes of the University of Lisbon, Professor Davita L. Watkins of the University of Mississippi, and Dr Filip Topic of McGill University, they each received discounted registration and a personal invitation to submit to CrystEngComm.

Immediately prior to the symposium was a satellite workshop on the IUPAC project to characterize chalcogen, pnictogen, and tetrel bonds – analogous interactions in which Group 14-16 element act as the electrophilic sites. Organized and Chaired by Professor Giuseppe Resnati (Politecnico Milano), the workshop featured a lively poster session and the RSC provided awards for two of the researchers presenting their work. The CrystEngComm prize went to Patrick Wonner of Ruhr-University-Bochum for his poster entitled “Carbon-halogen Bond Activation by Selenium-Based Chalcogen Bonding“, while the NJC prize went to Asia Marie Riel of Université de Rennes for her poster entitled “Isolated and Expanded Chalcogen Bond Halide Networks” (both pictured below).

	Left-to-Right: Giuseppe Resnati (Chair of IUPAC Workshop), Khadijatul Kobra (winner of AICIng poster prize), Patrick M.J. Szell (winner of ACS poster prize), Asia Marie Riel (winner of RSC NJC poster prize), Patrick Wonner (winner of RSC CrystEngComm poster prize), Alex Elmi (winner of Springer poster prize), and Bill Pennington (Chair of ISXB-3).

CrystEngComm offers a huge congratulations to all Rising Stars and poster prize winners!

The capability of the natural environment to absorb the waste products of human enterprise and industry is being put under great strain by the growth in the world’s population and economy. Environmental remediation – the decontamination of soil, air, and water – and waste stream treatment are of the highest priority.

From carbon dioxide capture by MOFs and other porous materials, to the photocatalytic degradation of organic pollutants by crystalline nanomaterials, our new post-publication collection showcases recent work that demonstrates how Crystal Engineering is being applied to solve one of humanity’s most pressing challenges.

Here are a selection of the articles and ‘Highlight’ reviews included in the collection:

Articles

A novel methoxy-decorated metal–organic framework exhibiting high acetylene and carbon dioxide storage capacities

Xing Duan, Yuanjing Cui, Yu Yang and Guodong Qian

CrystEngComm, 2017,19,  1464-1469 10.1039/C6CE02291J A new microporous metal–organic framework with optimized pore space and open metal sites has been realized, exhibiting high acetylene and carbon dioxide storage capacities.

Capture of volatile iodine by newly prepared and characterized non-porous [CuI]_n-based coordination polymers

Abbas Tarassoli, Valiollah Nobakht, Elham Baladi, Lucia Carlucci and Davide M. Proserpio 

CrystEngComm, 2017,19, 6116-6126 10.1039/C7CE01193H Four new non-porous copper(I) iodide coordination polymers have been synthesized and demonstrate volatile iodine capture with simultaneous fluorescence quenching.

Luminescent sensing and photocatalytic degradation properties of an uncommon (4,5,5)-connected 3D MOF based on 3,5-di(3′,5′-dicarboxylphenyl)benzoic acid

Jun-Cheng Jin, Xi-Ren Wu, Zhi-Dong Luo, Fang-Yuan Deng, Jian-Qiang Liu, Amita Singh and Abhinav Kumar  

CrystEngComm, 2017,19, 4368-4377  10.1039/C7CE01012E An uncommon microporous MOF 1 used as fluorescent chemosensor for NACs and as photocatalyst.

Highlights

Metal–organic frameworks with Lewis acidity: synthesis, characterization, and catalytic applications

Zhigang Hu and Dan Zhao

Hierarchically structured magnesium based oxides: synthesis strategies and applications in organic pollutant remediation

Lekha Sharma and Rita Kakkar

Hollow Cu_xO (x = 2, 1) micro/nanostructures: synthesis, fundamental properties and applications

Shaodong Sun, Qing Yang, Shuhua Liang and Zhimao Yang

See the full collection here.

Submit your research or reviews on crystal engineering of materials for environmental applications to CrystEngComm – see our author guidelines for information on our article types or find out more about the advantages of publishing in a Royal Society of Chemistry journal.

We are excited to announce that Pierangelo Metrangolo (Politecnico di Milano) has been appointed as the new Chair of the CrystEngComm Editorial Board!

Pierangelo Metrangolo has been a full professor at Politecnico di Milano since 2011 and a Visiting Professor at VTT Technical Research Centre of Finland since 2011 and Aalto University, Finland, since 2015. He has published over 200 peer-reviewed studies, contributed 9 book chapters, and holds 11 patents. He has been awarded the “G. Ciamician” medal of the Division of Organic Chemistry of the Italian Chemical Society (2005) and the Journals Grant Award of the Royal Society of Chemistry (2005). His research interests include supramolecular chemistry, halogen bonding, fluorine chemistry, and bio-nanomaterials. He is currently a Titular Member of the Physical and Biophysical Chemistry Division of the IUPAC and Since 2013 he has been the holder of an European Research Council grant for the project “FOLDHALO – Folding with Halogen Bonding”.

When asked about the future of the crystal engineering field and the role of CrystEngComm, Pierangelo had this to say:

Pierangelo has been an Editorial Board member of CrystEngComm since 2013 and we’re delighted he has agreed to become our new Chair! He takes over from Professor Leonard MacGillivray, who has led the journal since 2011 and will continue with the journal as an Advisory Board member. We would like to thank Professor MacGillivray for his work on the journal and welcome Pierangelo as our new Chair!

Editor’s Choice: Read some of Pierangelo Metrangolo’s selections of CrystEngComm articles

Article Type: Paper DOI: 10.1039/c6ce02421a Citation: CrystEngComm, 2017,19, 246-255 Oxidation of magnetite nanoparticles is dependent on Fe2+ ions migrating from core to surface and influences interactions with the environment.

“Superparamagnetic iron oxide nanoparticles, i.e., magnetite (Fe₃O₄) and maghemite (γ-Fe₂O₃), are industrially used as adsorbents in separation processes, enzyme immobilization, biomedicine, and catalysis, among other applications. However, the synthetic conditions but also the environment where the particles are used, greatly limit their practical application due to their sensitivity to oxygen, which may alter both their distinct magnetic properties and particle size. Berensmeier and co-workers have thoroughly investigated the oxidation of magnetite nanoparticles under mild and harsh oxidation conditions. They demonstrated that the charge and surface reactivity can be affected by the different oxidation methods and the irreversible adsorption of acid molecules.”

Article Type: Paper DOI: 10.1039/c6ce02314b Citation: CrystEngComm, 2017,19, 1165-1171 Anion-exchange in CsPbBr3 nanocrystals using zinc halogenide salts could spread their emission spectra covering the whole visible spectral region.

“Colloidal halide perovskite nanocrystals (NCs) are intensively studied for their excellent optical and opto-electronic properties. In particular, CsPbX₃ NCs are excellent materials for next generation solar cells and LEDs. Importantly, changing halide combinations may result in NC photoluminescence (PL) fine tuning over the entire visible spectral region. Jiang and co-workers have discovered that zinc halogenide (ZnX₂) is a very convenient halide source for anion exchange. The exchange proceeds at room temperature within seconds (for Br to I) and tens of seconds (for Br to Cl) and allow to extend the NC PL spectra to the near-violet region and the red region. Their results represent a further step towards CsPbX₃ NCs commercialization.”

MOF catalysts in biomass upgrading towards value-added fine chemicals

Annika Herbst and Christoph Janiak

Article Type: Highlight DOI: 10.1039/c6ce01782g Citation: CrystEngComm, 2017, 19, 4092-4117 The development of new synthetic routes from biomass sources towards already existing molecules, which are then called bio-based molecules, or the transformation of biomass into new building blocks and materials will be of great impact. This review presents a critical comparison between MOFs and other catalysts (e.g. zeolites) for biomass transformation.

“Upgrading biomass into fuel and fine chemicals may reduce the dependence on fossil fuels. Metal Organic Frameworks (MOFs) were introduced as catalysts for biomass valorization only about five years ago, as efficient alternative to zeolites. Janiak and coworkers have reported a critical comparison between MOFs and zeolites for biomass transformation and valorization to platform chemicals. It was shown that MOFs may display a similar or better activity in selected reactions than heterogeneous catalysts such as zeolites or metal oxides. In particular, their high synthetic and structural tunability especially distinguish MOFs from zeolites and metal oxides and are worthy of further development to enable new catalytic pathways to sustainable fine chemicals.”

Modular assembly of porous organic cage crystals: isoreticular quasiracemates and ternary co-crystal

Srinu Tothadi, Marc A. Little, Tom Hasell, Michael E. Briggs, Samantha Y. Chong, Ming Liu and Andrew I. Cooper

Article Type: Paper DOI: 10.1039/c7ce00783c Citation: CrystEngComm, 2017, 19, 4933-4941 Co-crystallisation of helically chiral porous organic cage molecules has enabled the formation of isoreticular quasiracemates and a rare porous organic ternary co-crystal.

“Porous organic cages are shape persistent molecules with intrinsic cavities that accommodate guest molecules. The accessibility of the cavity is dictated by the dimensions of the cage window, but also determined by how the cages pack in the solid state. Therefore, not only the chemical structure of the cage but also their crystal packing may determine their function. Cooper and co-workers have described a general strategy for controlling cage to cage co-crystal assembly using chiral recognition. They were also able to  prepare a rare ternary cage co-crystal.”

The next dimension of structural science communication: simple 3D printing directly from a crystal structure

Peter A. Wood, Amy A. Sarjeant, Ian J. Bruno, Clare F. Macrae, Helen E. Maynard-Casely and Matthew Towler

Article Type: Paper DOI: 10.1039/c6ce02412b Citation: CrystEngComm, 2017, 19, 690-698 Here we illustrate how to easily produce 3D printable model files from any standard structural model using the freely available visualisation program Mercury.

“3D printing is now readily accessible to anyone without any effort beyond the generation of a 3D model file. 3D printing of physical models directly from accurate experimental outputs has the potential to produce models of any type of chemistry. This is important in science, because there is evidence that a large proportion of the population learn more effectively when presented with physical 3D models, rather than virtual 3D or 2D representations in books or on screens. Wood and co-workers have reported for the first time that 3D models can be easily 3D printed from any standard structural model file using the well-known, freely available structure visualization program, Mercury. Their approach may profoundly impact the way structural chemistry is communicated to society.”

Submit your research or reviews to CrystEngComm – see our author guidelines for information on our article types or find out more about the advantages of publishing in a Royal Society of Chemistry journal.

Registration is now open for the Silicon Nanoparticles workshop in Bertinoro, Italy, 1-3 October 2018. Visit the website for more details. 

CrystEngComm is the journal for innovative research covering all aspects of crystal engineering – the design of crystals, crystal growth, and the synthesis and evaluation of solid-state materials with desired properties. Here is a selection of our most cited articles of 2017:

Most Cited Research:

This original research is off to a great start, as some of our most cited work these papers and communications are already receiving recognition from the crystal engineering community.

A series of new mixed-ligand complexes based on 3,6-bis(imidazol-1-yl)pyridazine: syntheses, structures, and catalytic activities

Sheng-Bin Zhou, Xin-Fang Wang, Ceng-Ceng Du, Duo-Zhi Wang and Dianzeng Jia

CrystEngComm, 2017,19, 3124-3137 DOI: 10.1039/C7CE00394C Seven new mixed-ligand complexes based on 3,6-bis(imidazol-1-yl)pyridazine and various auxiliary ligands were synthesized and all complexes present good catalytic performance for the homocoupling reaction of 4-substituted aryl iodides bearing electron-donating groups.

Selective separation of aqueous sulphate anions via crystallization of sulphate–water clusters

Yang-Hui Luo, Jing-Wen Wang, Yao-Jia Li, Chen Chen, Pei-Jing An, Sen-Lin Wang, Chao-Qun You and Bai-Wang Sun

CrystEngComm, 2017,19, 3362-3369 DOI: 10.1039/C7CE00693D The potential of N-benzyl-4-amino-1,2,4-triazole-related ligands as new candidate for aqueous/seawater sulfate separation was demonstrated. Sulfate anions were crystallized in form of [HSO4−·H2O]n or [SO42−·H2O]n sulfate–water clusters both selectively and effectively.

Halogen bonding modulates hydrogel formation from Fmoc amino acids

Pizzi, L. Lascialfari, N. Demitri, A. Bertolani, D. Maiolo, E. Carretti and P. Metrangolo

CrystEngComm, 2017,19, 1870-1874 DOI: 10.1039/C7CE00031F Iodine⋯pi halogen bonding is crucial to the self-assembly of brominated and iodinated Fmoc-phenylalanines.

Most Cited Reviews:

These Highlight articles are among our most cited of 2017, reviewing the advances and trends that are making waves in the crystal growth and supramolecular chemistry community.:

Overview of the strategic approaches for the solid-state recognition of hydrated anions

Md. Najbul Hoque and  Gopal Das

CrystEngComm, 2017,19, 1343-1360 DOI: 10.1039/C6CE02438F This review highlights the solid state recognition of hydrated anions an expanding area in the domain of supramolecular chemistry.

TTF–PTM dyads: from switched molecular self assembly in solution to radical conductors in solid state

Manuel Souto, Concepció Rovira, Imma Ratera and Jaume Veciana

CrystEngComm, 2017,19, 197-206 DOI:10.1039/C6CE01660J Dyads formed by tetrathiafulvalene (TTF) linked to perchlorotriphenylmethyl (PTM) radicals exhibit interesting physical properties such as bistability in solution or conductivity in solid state.

The proof is in the powder: revealing structural peculiarities in the Yb₃Rh₄Sn₁₃ structure type

Iain W. H. Oswald, Binod K. Rai, Gregory T. McCandless, Emilia Morosana and Julia Y. Chan

CrystEngComm, 2017,19, 3381-3391  DOI: 10.1039/C7CE00419B Compounds adopting the Yb3Rh4Sn13 structure type have drawn attention because of the revelation of exotic states such as heavy fermion behavior, superconductivity, charge density wave, and quantum critical behavior.

Submit your research or reviews on crystal engineering, crystal growth, and supramolecular chemistry to CrystEngComm – see our author guidelines for information on our article types or find out more about the advantages of publishing in a Royal Society of Chemistry journal.

The applications of nanomaterials range from environmental remediation to biological imaging. The design, engineering and growth of crystalline nanoparticles are pressing challenges, and papers tackling these hurdles are among our most impactful of 2017. 

Most Cited articles:

These Papers and Highlights are off to a great start, as some of our most cited work these articles are already being recognized by the nanomaterials community.

Experimental and simulation-based understanding of morphology controlled barium titanate nanoparticles under co-adsorption of surfactants

Zhongyu Sun, Lei Zhang, Feng Dang, Yao Liu, Zhiying Fei, Qian Shao, Hong Lin, Jiang Guo, Lichen Xiang, Narendranath Yerra and Zhanhu Guo

CrystEngComm, 2017,19, 3288-3298 DOI: 10.1039/C7CE00279C Selective adsorption of surfactants was theoretically predicted on crystal faces to prepare well-dispersed nanoparticles for the self-assembly of a high-quality stable dielectric constant film

Two-dimensional transition metal diseleniums for energy storage application: a review of recent developments

Yong-Ping Gao, Xu Wu, Ke-Jing Huang, Ling-Li Xing, Ying-Ying Zhang and Lu Liu

CrystEngComm, 2017,19, 404-418 DOI: 10.1039/C6CE02223E In this review, we have briefly summarized the applications of two-dimensional transition metal diseleniums in supercapacitors, lithium ion batteries, sodium ion batteries and hydrogen storage.

Constructing hierarchical hollow CuS microspheres via a galvanic replacement reaction and their use as wide-band microwave absorbers

Biao Zhao, Xiaoqin Guo, Yuanyuan Zhou, Tingting Su, Chao Ma  and Rui Zhang

CrystEngComm, 2017,19, 2178-2186 DOI: 10.1039/C7CE00235A Hollow hierarchical CuS microspheres prepared via a galvanic replacement reaction show thin thickness, wide band and light weight characteristics.

Most Downloaded articles:

These articles are receiving a lot of attention online, being some of our most downloaded articles and sparking discussion in the field of crystalline nanoparticles:

Synthesis of very thin Ag nanowires with fewer particles by suppressing secondary seeding

Dan Jia, Yan Zhao, Wei Wei, Chao Chen, Guowei Lei, Mengjuan Wan, Jingqi Tao, Shuxin Li, Shulin Ji and Changhui Ye

CrystEngComm, 2017,19, 148-153 DOI: 10.1039/C6CE02075E Very thin Ag nanowires with a high purity of 94.5% are synthesized by modulating the process temperature to suppress secondary seeding of Ag nanoparticles.

Structural evolution of a metal–organic framework and derived hybrids composed of metallic cobalt and copper encapsulated in nitrogen-doped porous carbon cubes with high catalytic performance

Hui Li, Fan Yue, Chao Yang, Peng Xue, Nannan Li, Yi Zhang and Jide Wang

CrystEngComm, 2017,19, 64-71 DOI: 10.1039/C6CE01995A Metal residues confined inside the graphitic carbon layers change the work function of shells and exhibit surprisingly high chemical activities.

Oxidation of magnetite nanoparticles: impact on surface and crystal properties

 P. Schwaminger, D. Bauer, P. Fraga-García, F. E. Wagner and S. Berensmeier

CrystEngComm, 2017,19, 246-255 DOI: 10.1039/C6CE02421A Oxidation of magnetite nanoparticles is dependent on Fe2+ ions migrating from core to surface and influences interactions with the environment.

Submit your research or reviews on crystalline nanoparticles to CrystEngComm – see our author guidelines for information on our article types or find out more about the advantages of publishing in a Royal Society of Chemistry journal.