Author Archive

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.

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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

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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.

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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

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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.

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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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CrystEngComm: issue 20 now online

The outside cover features research by Yang et al.  Highly symmetric polyhedral 50-facet Cu2O homogeneous structures enclosed by 24 high-index {211} facets, and 8 low-index {111} facets, 6 low-index {100} facets and 12 low-index {110} facets have been synthesized via a facile seed-mediated solution phase route.

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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

The inside cover showcases work from Uehara, Maeda et al. featuring ZnS nanocrystals with an apparent triangular head.  The head figuration was not the frequently-reported pyramid, but rather a cone. This cone consisted of not only low energy planes but high Miller-index planes which would be regarded as active points for applications such as catalysis and doping.

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Structural characterization of ZnS nanocrystals with a conic head using HR–TEM and HAADF tomography
Masato Uehara, Yusuke Nakamura, Satoshi Sasaki, Hiroyuki Nakamura and Hideaki Maeda
CrystEngComm, 2011, 13, 5998-6001
DOI: 10.1039/C1CE05168G

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HOT Article: Microcages with high geometrical symmetry

In this HOT article, Chinese researchers synthesized novel polyhedral 26-facet CuS microcages decorated with unique crystalline structures as building blocks via a facile sacrificial Cu2O templates solution route. Each of the polyhedral 26-facet CuS microcages is constructed of three different structural shells, which are enclosed by three pairs of square mesostructural shells, four pairs of nanotwinned triangular shells, and six pairs of rectangular single crystalline shells. The study should be of great importance for the “bottom-up” assembly of unusual hollow ordering superstructures.

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Unique polyhedral 26-facet CuS hollow architectures decorated with nanotwinned, mesostructural and single crystalline shells
Shaodong Sun, Xiaoping Song, Chuncai Kong, Shuhua Liang, Bingjun Ding and Zhimao Yang
CrystEngComm, 2011, Advance Article
DOI: 10.1039/C1CE05563A

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HOT Article: Novel nickel complexes

In this HOT article, Babashkina and co-workers have synthesized the first examples of NiII 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.

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Solvent-induced 1,3-N,Svs. 1,5-S,S‘-coordination in the NiII 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

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Highlight: MOFs go green

Acetylene is an important starting material in the petrochemical and electronic industry for various industrial and consumer products, and a promising alternative energy source for future acetylene fuel cell vehicles. With the importance of acetylene, as a green fuel, this CrystEngComm Highlight, focuses on the storage of acetylene and its separation from the CO2, CH4, or C2H4 mixtures on micro-porous metal–organic frameworks (MOFs).

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Microporous metal–organic frameworks for acetylene storage and separation
Zhangjing Zhang, Shengchang Xiang and Banglin Chen
CrystEngComm, 2011, Advance Article
DOI: 10.1039/C1CE05437F

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HOT article: Mixed crystals for SC-OFETs

In this HOT article, the solid-state interactions of dibenzophosphole chalcogenides and their potential application as electron transporting materials were investigated. The crystallographic properties of 9-phenyl-9-dibenzophosphole chalcogenides were compared with the mixed crystal structure and optical properties of 9-phenyl-9-dibenzophosphole sulphideselenide. The mixed crystal displayed desirable properties, i.e. carrier transport and emission properties, and this approach may be useful in the future for optoelectronic applications such as light-emitting SC-OFETs

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Enhanced phosphorescence in dibenzophosphole chalcogenide mixed crystal
Ryota Kabe, Vincent M. Lynch and Pavel Anzenbacher Jr.
CrystEngComm, 2011, Advance Article
DOI: 10.1039/C1CE05388D

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HOT article: Crystalline perfection

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

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HOT article: Nanorods make a stand

In this HOT article, ZnO nanorods were helped to “stand” vertically on microsubstrates by an interesting seed-mediated approach. Taking ZnO nanosheets as the microsubstrates, ZnO nanorods can grow vertically, not lying horizontally, on the facets with the aid of a seed layer precoating to form hierarchical ZnO nanorod-nanosheet architectures. The diameter as well as the length of the standing nanorods can be controlled effectively by adjusting the growth time and the amount of ammonia in the growth solution. The precoated seed layer has been found to be the key factor in determining the resultant morphology.

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Help nanorods “stand” on microsubstrate to form hierarchical ZnO nanorod-nanosheet architectures
Jun Jiang, Feng Gu, Wei Shao, Lili Gai, Chunzhong Li and Guangjian Huang
CrystEngComm, 2011, Advance Article
DOI: 10.1039/C1CE05180F

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