Journal cover: CrystEngComm


Design and understanding of solid-state and crystalline materials
Impact Factor 3.858 48 Issues per Year
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CrystEngComm, 2015, Advance Article
DOI: 10.1039/C4CE01564A, Paper
We use density functional theory to reveal the detailed elastic properties of two topical ZIF materials comprising the same chemical composition but different crystalline structures. ZIF-4 was found to exhibit a negative Poisson's ratio, representing the first ‘auxetic-ZIF’ to be identified.
CrystEngComm, 2014, Accepted Manuscript
DOI: 10.1039/C4CE02021A, Paper
Precipitation of Curcumin, a poorly water soluble drug has been carried out by liquid antisolvent technique in presence of ultrasound and stabilizers. Curcumin particles with varied morphology were observed to...
CrystEngComm, 2014, Accepted Manuscript
DOI: 10.1039/C4CE02008A, Paper
Seven complexes, namely, {[Co2[(R, S)-bpdado]2(CH3CN)2(H2O)2]•2H2O}n 1, {Cu[(R, S)-bpdado](H2O)}n 2, {[Cu2[(R, S)-bpdado]2(H2O)2]•H2O}n 2′, {[Cu(R, S)-bpdado]•EtOH}n 2′′, {Cu[(R, S)-bpdado](phen)}2 (phen = 1,10-phenanthroline) 3, {Cu[(R, S)-bpdado](phen)(H2O)}2•8H2O 4 and {Cu[(R, S)-bpdado](dpy)(H2O)}2•4H2O (dpy = 2,2′-pyridine)...
CrystEngComm, 2014, Accepted Manuscript
DOI: 10.1039/C4CE01711K, Highlight
Metal organic frameworks (MOFs) have received significant attention in recent years both from academia and industry since this new class of nanoporous materials have many potential advantages over traditional nanoporous...
CrystEngComm, 2014, Accepted Manuscript
DOI: 10.1039/C4CE01726A, Paper
The pure tetragonal crystal phase LaOF: Eu3+ (2 mol%) nanocrystals (NCs) are obtained by annealing ultrasmall-sized LaF3: Eu3+ (2 mol%) NCs assisted with surfactant oleic acid. Spectroscopic characterization of Eu3+...
Philippe Veber, Matias Velázquez, Grégory Gadret, Daniel Rytz, Mark Peltz and Rodolphe Decourt
CrystEngComm, 2014, Advance Article
DOI: 10.1039/C4CE02006E, Communication
The crystal growth of cubic Tb2O3 was achieved for the first time and its high Verdet constant was determined.
CrystEngComm, 2014, Advance Article
DOI: 10.1039/C4CE01857E, Paper
A detailed morphological study on an organic polymorphic system highlighting the influence of desolvation on crystal habit.
Volker L. Deringer, Ralf P. Stoffel, Atsushi Togo, Bernhard Eck, Martin Meven and Richard Dronskowski
CrystEngComm, 2014, Advance Article
DOI: 10.1039/C4CE01637H, Paper
Thermal displacement ellipsoids for a set of H-bonded molecular crystals are predicted ab initio, that is, using periodic DFT and lattice-dynamics computations. While most results are highly encouraging (as seen here for guanidine), we explore not only the possibilities of the method, but also its limits at the hand of more challenging scenarios.
L. Koskinen, P. Hirva, E. Kalenius, S. Jääskeläinen, K. Rissanen and M. Haukka
CrystEngComm, 2015, Advance Article
DOI: 10.1039/C4CE01735H, Communication
A thorough characterization of unusually strong I+–S halogen bonds indicates that halogen bonding is not merely an electrostatic contact but also has a strong coordinative nature, thus expanding the scope of halogen bonding.
Wei Cao, Yiyin Mao and Xinsheng Peng
CrystEngComm, 2014, Advance Article
DOI: 10.1039/C4CE01678E, Paper
Ammonia assisted formation of MOP-18 tubular crystals from copper hydroxide nanostrands with 5-OC12H25-mBDCH2 in DMF–ammonia solution by cooling-induced crystallization.
CrystEngComm, 2014, Advance Article
DOI: 10.1039/C4CE01826E, Communication
Presenting instant microwave-synthesized hierarchical nanostructures (HNSs) of titania with huge surface area and light scattering, thus greater absorption, for better performance in DSSCs.
Keyan Li, Shudong Lin, Fenfen Shua, Jiawei Zhang, Kunfeng Chen and Dongfeng Xue
CrystEngComm, 2014, Advance Article
DOI: 10.1039/C4CE01882F, Paper
High-performance nanocrystalline LiMn2O4 and LiCo1−xMnxO2 cathode materials were synthesized by a rapid combustion method, followed by an annealing treatment.
Mário T. S. Rosado, Teresa M. R. Maria, Ricardo A. E. Castro, João Canotilho, Manuela Ramos Silva and M. Ermelinda S. Eusébio
CrystEngComm, 2014, Advance Article
DOI: 10.1039/C4CE01211A, Paper
The methoxy substituent in trans-1,4-cyclohexanedimethanol stabilizes equatorial conformations, whose two polymorphs were found and characterized by DSC, FTIR, and XRD.
Sebastian Spirkl, Maciej Grzywa, Christoph S. Zehe, Jürgen Senker, Serhiy Demeshko, Franc Meyer, Stefan Riegg and Dirk Volkmer
CrystEngComm, 2015, Advance Article
DOI: 10.1039/C4CE01583E, Paper
Two novel metal–organic frameworks Fe-/Ga-CFA-6 based on trivalent metal centers and 4,4′-bipyrazolate linkers are presented and characterized in this work.
Yunqing Luo, Shanshan Fan, Nongyi Hao, Shuangling Zhong and Wencong Liu
CrystEngComm, 2014, Advance Article
DOI: 10.1039/C4CE01600A, Communication
A novel multi-functional Au/CdS/Fe3O4/reduced graphene oxide (RGO) hybrid nanomaterial has been successfully fabricated via a simple layer-by-layer technology. RGO plays the important role of linker to combine the multiple components, including Fe3O4, CdS and Au, together to form the single entity.
Rita De Zorzi, Giovanna Brancatelli, Monica Melegari, Roberta Pinalli, Enrico Dalcanale and Silvano Geremia
CrystEngComm, 2014, Advance Article
DOI: 10.1039/C4CE01813C, Paper
The solid-state selectivity of a cavitand receptor towards short alkyl chain alcohols was evaluated by analysis of X-ray diffraction data of isomorphous single crystals grown in competition binding experiments.
CrystEngComm, 2015, Advance Article
DOI: 10.1039/C4CE01327A, Paper
For the design of metal–organic frameworks with specific properties, a chromatographic method to quantitatively determine their Lewis acid base characteristics was demonstrated with HKUST-1.
CrystEngComm, 2014, Advance Article
DOI: 10.1039/C4CE01847H, Paper
Second harmonic generation responses of new chiral vanadium phosphate materials were shown to strongly increase upon contraction of the structure.
Xiaojuan Wang, Qi Zhang, Linglei Jiang, Yun Xu and Xuefeng Mei
CrystEngComm, 2014, Advance Article
DOI: 10.1039/C4CE01854K, Paper
Three co-crystals and six isostructural co-crystal solvates of celecoxib (CEL) and bipyridine derivatives were synthesized and structurally characterized.
Wanli Zhou, Zheyu Zhang, Jun Peng, Xiang Wang, Zhenyu Shi and Guangzhe Li
CrystEngComm, 2014, Advance Article
DOI: 10.1039/C4CE01409J, Paper
Five organic–inorganic hybrids with 3D framework constructed from {–SiW11–Ln–SiW11–}n inorganic chains and {Cu/bimpy} ribbons were synthesized. The magnetic and electrochemical properties of compounds 1 and 2 were studied.
Carlos Rodriguez-Navarro, Krzysztof Kudlacz, Ozlem Cizer and Encarnación Ruiz-Agudo
CrystEngComm, 2014, Accepted Manuscript
DOI: 10.1039/C4CE01562B, Paper
Amorphous calcium carbonate (ACC) is a key precursor of crystalline CaCO3 biominerals and biomimetic materials. Despite recent extensive research, its formation and amorphous-to-crystalline transformation are not, however, fully understood. Here...
Banghong Zhou, Shuanglei Yang, Wei Wu, Lingling Sun, Mei Lei, Jun Pan and Xiang Xiong
CrystEngComm, 2014, Advance Article
DOI: 10.1039/C4CE01774A, Paper
In this study, semi-conducting one-dimensional SnO2@TiO2 heterostructures with unique properties are realized, suited to application in the photocatalysis field.
Romain Bachelet, Patricia de Coux, Bénédicte Warot-Fonrose, Vassil Skumryev, Gang Niu, Bertrand Vilquin, Guillaume Saint-Girons and Florencio Sánchez
CrystEngComm, 2014, Advance Article
DOI: 10.1039/C4CE01817F, Communication
Novel spinel heteroepitaxial structures composed of ferrimagnetic spinel CoFe2O4 and ultrathin γ-Al2O3 buffer layers are integrated on Si(111).
Haiming Qin, Jun Jiang, Haochuan Jiang, Yuanhua Sang, Dehui Sun, Xinhai Zhang, Jiyang Wang and Hong Liu
CrystEngComm, 2014, Advance Article
DOI: 10.1039/C4CE01757A, Paper
Non-stoichiometric compositions lead to microstructures different from that of stoichiometric Nd:YAG. Nanograins of excess Al2O3 remain inside the Nd:YAG grains in Al2O3-excess ceramics, while Y-rich compounds recrystallize at the Nd:YAG grain boundaries in Y2O3-excess ceramics.
Mehrdad Pourayoubi, Maryam Toghraee, Jianfeng Zhu, Michal Dušek, Pablo J. Bereciartua and Václav Eigner
CrystEngComm, 2014, Advance Article
DOI: 10.1039/C4CE01793E, Paper
The analysis of hydrogen bond patterns for phosphoric triamides structures, using the newly synthesized compounds and structures contained in the Cambridge Structural Database is studied.

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