CrystEngComm Blog

In this HOT article, Babashkina and co-workers have synthesized the first examples of Ni^II complexes containing the same asymmetric NTT [(N-(thio)phosphorylated thioamides and thioureas RC(S)NHP(X)(OR0)2 (X ¼ O, S)] ligand featuring an aryl-NH substituent at the thiocarbonyl group and coordinating to the metal both in the 1,3-N,S- and 1,5-S,S’-fashion in the solid state depending on the crystallization conditions.

Find out more about these interesting complexes by reading the full HOT article for FREE at:

Solvent-induced 1,3-N,S– vs. 1,5-S,S‘-coordination in the Ni^II complex [Ni{p-Me₂NC₆H₄NHC(S)NP(S)(OiPr)₂}₂]
Maria G. Babashkina, Damir A. Safin, Monika Srebro, Piotr Kubisiak, Mariusz P. Mitoraj, Michael Bolte and Yann Garcia
CrystEngComm, 2011, Advance Article
DOI: 10.1039/C1CE05387F

Song Gao and colleagues from Peking University investigate a way of improving the chances of obtaining chiral crystalline solids, in this CrystEngComm Hot article.

Control of chirality is important in the making of drugs, and in materials that are used for things like second-order nonlinear optics and ferroelectrics. Here Gao uses more acentric centers in the crystal lattice, to try and obtain chiral solids from achiral starting materials.

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Chiral crystalline solids of ammonium-templated ErIII–formate frameworks assembled from three achiral acentric components
Bin Liu, Hai-Bin Zheng, Zhe-Ming Wang and Song Gao
CrystEngComm, 2011, DOI: 10.1039/C1CE05250K

In their recent CrystEngComm article Pierangelo Metrangolo, Giuseppe Resnati and co-workers discuss how fluorine can display a region of positive electrostatic potential when bound to residues which work as particularly strong electron withdrawing groups. Fluorine can thus function as a halogen bond donor and form complexes with lone-pair-containing neutral atoms and anions. Read more about the impact of this newly revealed aspect of fluorine behaviour in the communication below.

The fluorine atom as a halogen bond donor, viz. a positive site
Pierangelo Metrangolo, Jane S. Murray, Tullio Pilati, Peter Politzer, Giuseppe Resnati and Giancarlo Terraneo
CrystEngComm, 2011, Advance Article, DOI: 10.1039/C1CE05554B

Scientists from Japan and China have investigated the crystal structures of bisazomethine dyes in this CrystEngComm Hot article.

The researchers looked at the 2D molecular stacking of the structures, to try and work out the best way of engineering a quasi-low-D electronic state. These materials could then be used in opto-electronics, especially in flexible devices.

Read the full article for FREE to find out more about the structures of these organic dyes…

Effects of alkoxy substitution on the crystal structure of 2,3-bis[(E)-4-(diethylamino)-2-alkoxybenzylideneamino]fumaronitrile derivatives
Byung-Soon Kim, Takumi Jindo, Ryohei Eto, Yohei Shinohara, Young-A Son, Sung-Hoon Kim and Shinya Matsumoto
CrystEngComm, 2011, DOI: 10.1039/C1CE05198A

In this CrystEngComm Hot Article, Johanna Eichhorn and colleagues from Munich, Germany study the self-assembly of melem on Ag(111) surface using scanning tunnelling microscopy.

They observe seven different monolayer polymorphs stabilized by intermolecular hydrogen bonds. Porous surface-supported supramolecular monolayers have potential applications as host networks for the inclusion of guests or even as organic templates for the growth of size-selected metal nanoparticles.

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Self-assembly of melem on Ag(111)—emergence of porous structures based on amino-heptazine hydrogen bonds
Johanna Eichhorn, Stefan Schlögl, Bettina V. Lotsch, Wolfgang Schnick, Wolfgang M. Heckl and Markus Lackinger
CrystEngComm, 2011, Advance Article
DOI: 10.1039/C1CE05342F, Paper

In this CrystEngComm Hot Article, Steven De Feyter, Albertus Schenning and colleagues investigate how molecular chirality can be expressed at the supramolecular level during 2D self-assembly.

They studied the formation of a chiral monolayer of a substituted hexaarylbenzene with 24 stereogenic centres at the interface between a liquid and highly oriented pyrolytic graphite. When both enantiomers are co-adsorbed on the surface, a racemic conglomerate is formed.

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A multivalent hexapod having 24 stereogenic centers: chirality and conformational dynamics in homochiral and heterochiral systems
Hong Xu, Martin Wolffs, Željko Tomović, E. W. Meijer, Albertus P. H. J. Schenning and Steven De Feyter
CrystEngComm, 2011, Advance Article
DOI: 10.1039/C1CE05433C, Paper

James D. Wuest and co-workers from the University of Montréal, Canada, look at crystalline amino-substituted azines in this CrystEngComm Hot article.

They look at how 2D and 3D structures of crystalline materials can be designed, using aminoazines and alkanecarboxylic acids absorbed on graphite as the test case, and as the authors say ‘Our results may therefore help identify other families of compounds that dependably favor analogous crystallization in 3D and 2D, possibly even when multiple surfaces are used and when significant epitaxy is not present’

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Engineering homologous molecular organization in 2D and 3D. Cocrystallization of aminoazines and alkanecarboxylic acids
Adam Duong, Thierry Maris and James D. Wuest
CrystEngComm, 2011, DOI: 10.1039/C1CE05445G

This CrystEngComm Hot article describes the fabrication of SnO₂/α-Fe₂O₃ nanoheterostructures by a hydrothermal process.

The structures are made of iron oxide nanoprisms with tin dioxide nanorods on the inner and outer surfaces, which gives them superior visible light photocatalytic properties. The authors believe this is due to ‘the effective electron-hole separation at the SnO₂/α-Fe₂O₃ interfaces’.

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SnO2/α-Fe2O3 nanoheterostructure with novel architecture: structural characteristics and photocatalytic properties
Ju Xu, Feng Huang, Yunlong Yu, Anping Yang and Yuansheng Wang
CrystEngComm, 2011, DOI: 10.1039/C1CE05270E

Lithium niobate (LN), a nonlinear optical  material in its single crystal form, is well proven as a potential and unique material for its use in advanced photonic device applications like second-harmonic generation, optical switching, optical modulators, holographic data storage, acousto-optic and ferroelectric. The transition and rare earth metal ions (Fe, Mn, Cuand Ce) improve the data storage capabilities of LN by improving its photorefraction efficiency. However, when the concentration of dopants in the crystal increase, high geometric strains develop in the lattice resulting in the agglomeration of point defects, the formation of dislocations finally leading to structural boundaries. These defects mask or partially/completely deteriorate some of the anisotropic physical properties of the single crystals and reduce the efficiency of the devices made out of these crystals.

In this HOT article, a very detailed account of a novel technique for producing optical quality single crystals of doped lithium niobate is presented. The authors have grown Fe doped LiNbO3 single crystals using an indigenously developed Czochralski growth setup. In order to achieve good quality crystals (free from structural defects, voids and grain boundaries) from the Czochralski method they have used a post growth cooling technique. Additionally they have evaluated the potential of the material for use in optical devices and shown it to be “fit for purpose”.

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Crystalline perfection, EPR, prism coupler and UV-VIS-NIR studies on Cz-grown Fe-doped LiNbO3: A photorefractive nonlinear optical crystal
Satya Kumar Kushwaha, Kamlesh Kumar Maurya, Narayanasamy Vijayan and Godavarthi Bhagavannarayana
CrystEngComm, 2011, Advance Article
DOI: 10.1039/C0CE00892C