the

Dominant effect of the grain size of the MAPbI3 perovskite controlled by the surface roughness of TiO2 on the performance of perovskite solar cells

CrystEngComm, 2020, 22,2718-2727
DOI: 10.1039/D0CE00169D, Paper
Methawee Nukunudompanich, Gekko Budiutama, Kazuma Suzuki, Kei Hasegawa, Manabu Ihara
The surface roughness of the c-TiO2 layer help controls the perovskite grain size without any other parameter. The direct effect of perovskite grain size on PSC performance is clarified.
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the

Insights into OCP identification and quantification in the context of apatite biomineralization

CrystEngComm, 2020, 22,2728-2742
DOI: 10.1039/C9CE01972C, Paper
Marc Robin, Stanislas Von Euw, Guillaume Renaudin, Sandrine Gomes, Jean-Marc Krafft, Nadine Nassif, Thierry Azaïs, Guylène Costentin
Monitoring apatite formation through in situ RAMAN and ex situ ssNMR spectroscopy.
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the

Defective crystal plane-oriented induced lattice polarization for the photocatalytic enhancement of ZnO

CrystEngComm, 2020, 22,2709-2717
DOI: 10.1039/C9CE01966A, Paper
Xiaojuan Bai, Boxuan Sun, Xuyu Wang, Tianshuo Zhang, Qiang Hao, Bing-Jie Ni, Ruilong Zong, Ziyang Zhang, Xiaoran Zhang, Haiyan Li
The mechanism of the photocatalytic reaction of defective ZnO systems was determined.
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the

Stabilization of hydrogen peroxide by hydrogen bonding in the crystal structure of 2-aminobenzimidazole perhydrate

CrystEngComm, 2020, 22,2866-2872
DOI: 10.1039/D0CE00096E, Paper
Andrei V. Churakov, Dmitry A. Grishanov, Alexander G. Medvedev, Alexey A. Mikhaylov, Mikhail V. Vener, Mger A. Navasardyan, Tatiana A. Tripol'skaya, Ovadia Lev, Petr V. Prikhodchenko
2-Aminobenzimidazole peroxosolvate – the third H2O2 crystalline adduct stabilized with the maximum possible number of hydrogen bonds formed by one hydrogen peroxide molecule.
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the

Different effects in the selective detection of aniline and Fe3+ by lanthanide-based coordination polymers containing multiple reactive sites

CrystEngComm, 2020, 22,2837-2844
DOI: 10.1039/D0CE00238K, Paper
Xinfang Liu, Liyong Du, Rongfang Li, Ningning Ma, Mengdi You, Xun Feng
Isostructural Ln-CPs (1-Eu and 2-Tb) show almost the same high detection ability for Fe3+ and different detection abilities for aniline. The detection difference was studied through PXRD, UV-vis, luminescence lifetimes and Hirshfeld surface analysis.
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the

Designed synthesis of unique ZnS@CdS@Cd0.5Zn0.5S-MoS2 hollow nanospheres for efficient visible-light-driven H2 evolution

CrystEngComm, 2020, 22,2743-2755
DOI: 10.1039/D0CE00064G, Paper
Bowen Sun, Hui Wang, Jiakun Wu, Yanling Geng, Jixiang Xu, Yaowei Wang, Yanyan Li, Haifeng Lin, Lei Wang
Unique ZnS@CdS@Cd0.5Zn0.5S-MoS2 hollow nanospheres with abundant active sites and enhanced light-harvesting and charge separation demonstrate efficient H2 evolution from visible-light-driven water-splitting.
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the

Heterobimetallic complexes from 0D clusters to 3D networks based on various polycyanometallates and [Cu(dmpn)2]2+ (dmpn = 2,2-dimethyl-1,3-diaminopropane): synthesis, crystal structures and magnetic properties

CrystEngComm, 2020, 22,2806-2816
DOI: 10.1039/D0CE00235F, Paper
Xiaoyun Hao, Jingwen Shi, Yong Dou, Tong Cao, Zhen Zhou, Lu Yang, Dacheng Li, Qingyun Liu, Jianzhuang Jiang, Daopeng Zhang
Six new cyanide-bridged complexes (0–3D) have been assembled by employing one copper compound and six cyano precursors. Investigation of the magnetic properties revealed the ferro- or antiferromagnetic coupling between FeIII/CrI ion and CuII ion.
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the

Machine learning methods to predict the crystallization propensity of small organic molecules

CrystEngComm, 2020, 22,2817-2826
DOI: 10.1039/D0CE00070A, Paper
Florbela Pereira
Machine learning algorithms were explored for the prediction of the crystallization propensity based on molecular descriptors and fingerprints generated from 2D chemical structures and 3D chemical structures optimized with empirical methods.
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the

Synthesis of all-silica hollow zeolites by selective demetallation

CrystEngComm, 2020, 22,2845-2848
DOI: 10.1039/D0CE00263A, Paper
Open Access
Teng Li, Frank Krumeich, Jeroen A. van Bokhoven
Exploiting the protective role of extra-framework aluminum species on the crystal rim, all-silica hollow zeolites are efficiently produced by demetallation.
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the

Discovery of new polymorphs of the tuberculosis drug isoniazid

CrystEngComm, 2020, 22,2705-2708
DOI: 10.1039/D0CE00440E, Communication
Keke Zhang, Noalle Fellah, Alexander G. Shtukenberg, Xiaoyan Fu, Chunhua Hu, Michael D. Ward
Two new metastable polymorphs of the tuberculosis drug isoniazid, considered monomorphic for sixty years, were discovered using melt crystallization and nanoscale confinement.
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the

Investigation on the interconversion from DMF-solvated to unsolvated copper(II) pyrazolate coordination polymers

CrystEngComm, 2020, Advance Article
DOI: 10.1039/D0CE00370K, Paper
Corrado Di Nicola, Alessia Tombesi, Marco Moroni, Rebecca Vismara, Fabio Marchetti, Riccardo Pettinari, Luca Nardo, Guglielmo Vesco, Simona Galli, Silvia Casassa, Luciano Pandolfo, Claudio Pettinari
Enlarging the family of CPs with the {Cu(μ-pz)2} building unit: synthesis, thermal behaviour, crystal structure and spectroscopic properties of [Cu(μ-4-Xpz)2(μ-DMF)]n (4-Xpz = 4-Xpyrazolate, X = H, Cl, Br, I) and the non-solvated counterparts.
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the

Synthesis and investigation alkaline energetic coordination polymers based on 1,2,3-triazole-4,5-dicarboxylic acid for green component of pyrotechnic

CrystEngComm, 2020, Accepted Manuscript
DOI: 10.1039/D0CE00317D, Paper
Zhen-Li Yang, Jian Qin, Jun- Qing Yang , Jianguo Zhang
Research on novel energetic coordination polymers (ECPs) is becoming increasingly important for energetic materials, numerous ECPs were reported and found to be potential energetic materials. In this study, 4,5-dicarboxylic-1,2,3-triazolean was...
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the

Mesoporogen-free synthesis of hierarchical HZSM-5 for LDPE catalytic cracking

CrystEngComm, 2020, Accepted Manuscript
DOI: 10.1039/D0CE00255K, Paper
Yunhao Zang, Jinying Wang, Jianfeng Gu, Jiangying Qu, Feng Gao
Herein, a mesoporogen-free, and steam-assisted route is proposed to synthesize highly crystalline hierarchical HZSM-5 using Stöber silica spheres as the precursor. The effect of crystallization time on the morphology and...
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the

Role of Surface Phenomena on the Reaction of Molecular Solids: the Diels-Alder Reaction on Pentacene

CrystEngComm, 2020, Accepted Manuscript
DOI: 10.1039/D0CE00269K, Paper
Selma Piranej, Michael A. W. Shelhart Sayers, Gregory J. Deye, Sergey N. Maximoff, Jonathan P. Hopwood, Haejun Park, Jean G. Slavsky, Jacob Ciszek
Reactivity trends for molecular solids cannot be explained exclusively through topochemical phenomenon (i.e. diffusivity, reaction cavities) or electronic structure of the molecules. As an example of this class, Diels-Alder reactions...
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the

A water-stable terbium metal-organic framework with functionalized ligands for the detection of Fe3+, Cr2O72- ions in water and picric acid in seawater

CrystEngComm, 2020, Accepted Manuscript
DOI: 10.1039/D0CE00430H, Paper
Hai-Huan Yu, Jia-Qi Chi, Zhong-Min Su, Xiao Li, Jing Sun, Chen Zhou, Xiao-Li Hu, Qun Liu
The existence of Cr2O72- anions, excessive Fe3+ cations in water and picric acid in seawater have irreversible harm to human health and aquatic organism. Herein, a water-stable terbium metal-organic framework...
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the

Synthesis of the finger-like MoS2@VS2 micro-nano composite with enhanced field emission performance

CrystEngComm, 2020, Accepted Manuscript
DOI: 10.1039/D0CE00347F, Paper
Yu Feng, Erwei Du, Shijing Gong, Ke Yu, Xiaofan Chen, Ziqiang Zhu
The MoS2@VS2 micro-nano composite was synthesized via a two-step hydrothermal method. The field emission properties of MoS2@VS2 micro-nano composite were investigated for the first time. The finger-like VS2 has a...
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the

A novel synthesis of YVO4:Ln3+ (Ln = Eu, Sm, and Dy) porous/hollow submicro-ellipsoids and their luminescence properties

CrystEngComm, 2020, Advance Article
DOI: 10.1039/D0CE00526F, Paper
Shuang Zhao, Baiqi Shao, Yang Feng, Senwen Yuan, Langping Dong, Liang Zhang, Hongpeng You
A novel synthesis strategy of porous/hollow YVO4 submicro-ellipsoids with multicolor emissions has been developed based on the high structural matching of LYH and YVO4.
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the

Graphene-based SiC nanowires with nanosheets: synthesis, growth mechanism and photoluminescence properties

CrystEngComm, 2020, Advance Article
DOI: 10.1039/D0CE00297F, Paper
Zhihui Hu, Zhi Chen, Juntong Huang, Mingge Yan, Meng Zhang, Lei Zhang, Xibao Li, Zhijun Feng
3C-SiC nanowires with nanosheets were synthesized via a direct reaction of Si vapor (from solid silicon) and SiO vapor (from silicon and silicon dioxide) with graphene nanosheets at 1500 °C without any additional metal catalyst.
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the

A digital workflow from crystallographic structure to single crystal particle attributes for predicting the formulation properties of terbutaline sulfate

CrystEngComm, 2020, Advance Article
DOI: 10.1039/D0CE00026D, Paper
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Thai T. H. Nguyen, Robert B. Hammond, Ioanna D. Styliari, Darragh Murnane, Kevin J. Roberts
A detailed inter-molecular (synthonic) analysis of terbutaline sulfate, an ionic addition salt for inhalation drug formulation, is related to its crystal morphology, the surface chemistry of the habit faces and hence to its crystal surface energy.
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the

Self-assembled natLiCl–CeCl3 directionally solidified eutectics for thermal neutron detection

CrystEngComm, 2020, Advance Article
DOI: 10.1039/C9CE01884K, Communication
Shuangliang Cheng, Rachel E. Hunneke, Mengkun Tian, Eric Lukosi, Mariya Zhuravleva, Charles L. Melcher, Yuntao Wu
We developed novel LiCl–CeCl3 eutectic scintillators that are capable of detecting thermal neutrons.
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the

The effect of deuteration-levels in solution and temperature on the segregation coefficient of deuterium content in rapid-grown K(DxH1-x)2PO4 crystals using Raman spectroscopy

CrystEngComm, 2020, Accepted Manuscript
DOI: 10.1039/D0CE00386G, Paper
Jinxin Huang, Zongqi Wang, Bing Teng, Hong Liu, Xixi Zheng, Shaohua Ji
A series of K(DxH1-x)2PO4 (DKDP) crystals with different saturating temperature and deuteration levels were grown by point-seed rapid growth method. The correlation between deuterium segregation coefficient and temperature and deuterium...
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the

Substituent effects on the crystallization mechanisms of 7-chloro-4-substituted-quinolines

CrystEngComm, 2020, Advance Article
DOI: 10.1039/D0CE00214C, Paper
João P. P. Copetti, Paulo R. S. Salbego, Tainára Orlando, Jéssica M. L. Rosa, Gabriela F. Fiss, João P. G. de Oliveira, Mário L. A. A. Vasconcellos, Nilo Zanatta, Helio G. Bonacorso, Marcos A. P. Martins
The crystallization mechanisms of a series of fourteen 7-chloro-4-substituted-quinolines were proposed based on a retrocrystallization approach using the supramolecular cluster as demarcation.
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the

Syntheses of Nymphaea-like BiOCl with oxygen vacancies for effectively remove tetracycline hydrochloride

CrystEngComm, 2020, Accepted Manuscript
DOI: 10.1039/D0CE00417K, Paper
Weidong Hou, Jia Yang, Haiming Xu, Dongya Li, Zhongwei Zou, Dongsheng Xia
Nymphaea-like BiOCl with oxygen vacancies (OVs) was successfully prepared by adjusting the pH of the precursor and using aspartic acid as surfactant. The as-fabricated samples were investigated by XRD, SEM,...
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the

Study of the versatility of CuBTC@IL-derived materials for heterogeneous catalysis

CrystEngComm, 2020, 22,2904-2913
DOI: 10.1039/C9CE01157A, Paper
Edurne S. Larrea, Roberto Fernández de Luis, Arkaitz Fidalgo-Marijuan, Eva M. Maya, Marta Iglesias, Maria I. Arriortua
The versatility of CuBTC (HKUST-1) MOF materials to be functionalized to improve their catalytic activity performance was evaluated. CuBTC@IL catalysts are selective for the cycloaddition of CO2 to epoxides, giving rise to value-added products.
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the

Diminishing accessibility of electrophilic nickel(II) centres due to incorporation of a methylene spacer in the pendant side arm of a series of heterotrinuclear nickel(II)/sodium complexes: a DFT study using a homodesmotic equation

CrystEngComm, 2020, 22,2970-2977
DOI: 10.1039/D0CE00251H, Paper
Prasanata Kumar Bhaumik, Abhisek Banerjee, Tamal Dutta, Sudipta Chatterjee, Antonio Frontera, Shouvik Chattopadhyay
The ethoxy groups have a dual effect in hindering the attack of the pseudo-halides on the nickel(II) centre and also in stabilizing the complex by intra-molecular interactions.
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the

Effect of dilution in a hydrothermal process and post-synthetic annealing on the tailoring of hierarchical ZnO nanostructures

CrystEngComm, 2020, 22,3059-3069
DOI: 10.1039/D0CE00310G, Paper
Smriti Thakur, Sanjay K. Mandal
Morphology transformation and dimensionality change as a result of dilution and post-synthetic annealing are reported.
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the

Effect of particle size and morphology on the performance of BiFeO3–PDMS piezoelectric generators

CrystEngComm, 2020, 22,2919-2925
DOI: 10.1039/D0CE00067A, Paper
Kohei Yoshiyama, Masae Mori, Manabu Hagiwara, Shinobu Fujihara
The effect of the size and morphology of piezoelectric BiFeO3 particles on the performance of BiFeO3–PDMS composite generators is revealed.
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the

Influence of lamellar thickness on the transformation of isotactic polybutylene-1/carbon nanotube nanocomposites

CrystEngComm, 2020, 22,2990-2997
DOI: 10.1039/D0CE00112K, Paper
Yan-Kai Li, Yu-Ge Wang, Cui-Liu Fu, You-Liang Zhu, Zhan-Wei Li, Zhao-Yan Sun
The crystallization transformation from form II to form I in PB-1/CNT materials is mainly influenced by the lamellar thickness.
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the

An Sc-based coordination polymer with concaved superstructures: preparation, formation mechanism, conversion, and their electrochemistry properties

CrystEngComm, 2020, 22,2926-2932
DOI: 10.1039/D0CE00086H, Paper
Hualan Xu, Ran Liu, Yongmei Zhu, Jinjiang Li, Changfeng Wan, Hang Zhang, Chuying Ouyang, Shengliang Zhong
Scandium-based coordination polymer octahedrons with concaved surfaces have been fabricated. The formation mechanism was also investigated. Sc2O3 octahedrons were obtained after simple calcination in a N2 atmosphere.
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the

Highly porous aluminophosphates with unique three dimensional open framework structures from mild hydrothermal syntheses

CrystEngComm, 2020, 22,3070-3078
DOI: 10.1039/D0CE00075B, Paper
Yucheng Hao, Yang Pan, Yuan Lin, Linbo He, Guangjie Ge, Yu Ruan, Haida Zhou, Yang Xue, Kisan Koirala
Three novel highly porous aluminophosphates were synthesized through mild hydrothermal methods. Interestingly, among them, α-NaAlPO4(OH) is polar and exhibits moderate nonlinear optical properties with a short cutoff edge.
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the

Nanosheet-assembled carbonated hydroxyapatite microspheres prepared by an EDTA-assisted hydrothermal homogeneous precipitation route

CrystEngComm, 2020, 22,2884-2888
DOI: 10.1039/D0CE00305K, Communication
Mei-li Qi, Shengkun Yao, Xiao-Cun Liu, Xiaoning Wang, Fengkun Cui
Well-defined carbonated hydroxyapatite microspheres assembled from nanosheets were synthesized by a Na2EDTA-assisted hydrothermal homogeneous precipitation route.
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the

Step-by-step: uncommon SCSC transformation accompanied by stepwise change in the binding of a particular ligand within a mononuclear complex upon stepwise desolvation

CrystEngComm, 2020, 22,2895-2899
DOI: 10.1039/D0CE00379D, Communication
Andrey V. Gavrikov, Andrey B. Ilyukhin, Pavel S. Koroteev
Uncommon SCSC transformation when desolvation induces subtle changes within a mononuclear complex, namely a stepwise change in the binding of a particular ligand.
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the

Intrinsically porous molecular building blocks for metal organic frameworks tailored by the bridging effect of counter cations

CrystEngComm, 2020, 22,2889-2894
DOI: 10.1039/D0CE00397B, Communication
Open Access
Peng Yang, Buthainah Alshankiti, Niveen M. Khashab
Intrinsically porous molecular building blocks are used for the rational design and construction of molecular-level controlled porous materials.
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the

Targeted crystal growth of uranium gallophosphates via the systematic exploration of the UF4–GaPO4–ACl (A = Cs, Rb) phase space

CrystEngComm, 2020, 22,3020-3032
DOI: 10.1039/D0CE00343C, Paper
Christian A. Juillerat, Vladislav V. Klepov, Mark D. Smith, Hans-Conrad zur Loye
The flux synthesis of a uranium gallophosphate and a uranium gallate, Cs4[UO2Ga2(PO4)4] and Cs2UO2Ga2O5, and 4 uranium phosphates, [Rb2Rb3.93Cl0.93][(UO2)5(PO4)5], Rb11[(UO2)8(PO4)9], Rb7.6[(UO2)8O8.6F0.4(PO4)2], and Rb6[(UO2)5O2(PO4)4], is reported.
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the

Hydrothermal synthesis and tunable up-conversion white luminescence properties of KSc(MoO4)2:Ln3+ (Ln = Yb, Er, Tm and Ho) crystals

CrystEngComm, 2020, Advance Article
DOI: 10.1039/D0CE00253D, Paper
Yini Mao, Li Jiang, Pengfei Xian, Qiongfen Fu, Shanshan Hu, Jun Yang
Pure hexagonal phase KSc(MoO4)2 crystals with a hexagonal block shape were successfully synthesized via a one-step hydrothermal method.
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the

Co-Inclusion of cyclic ethers and chloroform by a macrocycle with benzophenone-3,3',4,4'-tetracarboxylic diimide units

CrystEngComm, 2020, 22,2964-2969
DOI: 10.1039/D0CE00221F, Paper
Masahide Tominaga, Kosuke Mizuno, Haruka Yamamoto, Tadashi Hyodo, Kentaro Yamaguchi
Crystallization of a diimide-based macrocycle having adamantane parts and several cyclic ethers in chloroform provided inclusion crystals, where both guests were cooperatively accommodated within inner spaces between the macrocycles.
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the

An X-shaped cyano–carbonyl interaction on the polar surface of (cyanoacetyl)hydrazones

CrystEngComm, 2020, Advance Article
DOI: 10.1039/D0CE00359J, Communication
Zhenfeng Zhang
An X-shaped CN⋯CO interaction, which plays a critical role in dictating the molecule conformation and crystal packing patterns, has been found to occur on the polar surface of (cyanoacetyl)hydrazones, and is rationalized by density functional theory calculations.
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the

The different magnetic relaxation behaviors in [Fe(CN)6]3− or [Co(CN)6]3− bridged 3d–4f heterometallic compounds

CrystEngComm, 2020, 22,2998-3004
DOI: 10.1039/D0CE00039F, Paper
Ruirui Wang, Haili Wang, Juan Wang, Feifei Bai, Yue Ma, Licun Li, Qinglun Wang, Bin Zhao, Peng Cheng
For the isomorphic tetranuclear 3d–4f compounds constructed by [M(CN)6]3− linking LnIII-Schiff-base units, the diamagnetic CoIII ions in the system could suppress QTM effectively and obtain a field-induced SMMs behavior.
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the

A theoretical insight on the rigid hydrogen-bonded network in the solid state structure of two zinc(II) complexes and their strong fluorescence behaviors

CrystEngComm, 2020, 22,3005-3019
DOI: 10.1039/D0CE00125B, Paper
Ipsita Mondal, Tanmoy Basak, Snehasis Banerjee, Shouvik Chattopadhyay
A reduced Schiff base used as a fluorescence chemo-sensor for selective detection of zinc(II). Strong fluorescence behaviors of two zinc(II) complexes are correlated with the presence of a rigid hydrogen-bonded network in their solid state structure.
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the

Lanthanide doped bismuth-based fluoride nanoparticles: controlled synthesis and ratiometric temperature sensing

CrystEngComm, 2020, Accepted Manuscript
DOI: 10.1039/D0CE00435A, Paper
Pengpeng Lei, Ran An, Chengyu Li, Jing Feng, Hongjie Zhang
Bismuth-based nanoparticles, especially NaBiF4, have attracted extensive attention as hosts of lanthanides (Ln3+) ions and other luminescent ions in recent years. However, controllable synthesis of NaBiF4 nanoparticles remains a challenge....
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the

Solution and calorimetric thermodynamic study of a new 1:1 sulfamethazine – 3- methylsalicylic acid co-crystal

CrystEngComm, 2020, Accepted Manuscript
DOI: 10.1039/D0CE00498G, Paper
Dipali Ahuja, Michael Svärd, Matteo Lusi, Ake Rasmuson
A new 1:1 co-crystal of sulfamethazine (API, SMT) and 3-methylsalicylic acid (coformer, 3mSA) has been synthesized and its crystal structure solved by single crystal X-ray diffraction (XRD). The co-crystal has...
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the

The impact of positional isomerism on electronic and photochromic properties of 1D zinc-based naphthalene diimide coordination polymers

CrystEngComm, 2020, Advance Article
DOI: 10.1039/D0CE00025F, Paper
Pengfei Hao, Huihui Zhu, Yue Pang, Junju Shen, Yunlong Fu
The positional isomeric DPNDI ligands can effectively modulate the interfacial contacts of electron donors/acceptors and the efficiency of electronic/photochromic properties.
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the

Mining the Cambridge Database for theoretical chemistry. Mi-LJC: a new set of Lennard-Jones–Coulomb atom–atom potentials for the computer simulation of organic condensed matter

CrystEngComm, 2020, Advance Article
DOI: 10.1039/D0CE00334D, Paper
Angelo Gavezzotti, Leonardo Lo Presti, Silvia Rizzato
A novel, universal Lennard-Jones–Coulomb (LJC) atom–atom force field parametrization reproduces the experimental sublimation enthalpies of 377 molecular crystals drawn from the CSD.
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the

Phase transformations in a double complex salt of ruthenium nitrosyl anion with tetraamine-palladium cation

CrystEngComm, 2020, Accepted Manuscript
DOI: 10.1039/D0CE00441C, Paper
Gennadiy Kostin, Evgeny Filatov, Denis P Pishchur, Natalia Kuratieva, Sergey Korenev
Second-order phase transformation in double complex salt (DCS) [Pd(NH3)4][RuNO(NO2)4OH] was examined by DSC, single-crystal diffraction and powder diffraction. All data confirms the reversible “order-disorder” phase transition without sharp volume changes...
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the

Ligand modulated the variable binuclear Cd2-SBU and structures of four layered coordination frameworks

CrystEngComm, 2020, Accepted Manuscript
DOI: 10.1039/D0CE00513D, Paper
Mengdie Wang, Jian Zhang, Yun-Kai Sun, Jing Wei, Chunhong Tan, Xiao-Feng Wang
Four layered coordination polymers, namely, [Cd2(fuma)2(phen)2] (1), [Cd2(BDC)2(phen)2]·2DMF (2), [Cd2(NDC)2(phen)2]·0.5H2O (3), [Cd2(NDC)2(bipy)2]·2DMF (4) have been synthesized under solvo-thermal conditions (fuma = fumaric acid, H2BDC = 1,4-benzenedicarboxylic acid, H2NDC =1,4-naphthalenedicarboxylic acid,...
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the

Microstructure characteristics of non-monodisperse quantum dots: On the potential of transmission electron microscopy combined with X-ray diffraction

CrystEngComm, 2020, Accepted Manuscript
DOI: 10.1039/D0CE00312C, Paper
Stefan Neumann, Cristina Menter, Ahmed Salaheldin Mahmoud, Doris Segets, David Rafaja
Although the concept of quantum confinement was introduced more than thirty years ago, a wide application of the quantum dots is still limited by the fact that monodisperse quantum dots...
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the

Biological activity tuning of antibacterial urotropine via co-crystallization: synthesis, biological activity evaluation and computational insight

CrystEngComm, 2020, Advance Article
DOI: 10.1039/D0CE00226G, Paper
Nida Tabassum, Panayiotis C. Varras, Fiza Arshad, Muhammad I. Choudhary, Sammer Yousuf
Urotropine (1) is a synthetic heterocyclic antibacterial agent.
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the

New pronounced progress in the synthesis of group 5 polyoxometalates

CrystEngComm, 2020, Advance Article
DOI: 10.1039/D0CE00315H, Highlight
Joanna Dopta, Lisa K. Mahnke, Wolfgang Bensch
This highlight summarizes new developments made in group 5 polyoxometalate science of high nuclearity clusters with focus on synthetic approaches.
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the

Chirality and Stereoisomerism of Organic Multicomponent Crystals in the CSD

CrystEngComm, 2020, Accepted Manuscript
DOI: 10.1039/D0CE00403K, Paper
Open Access
Eline Grothe, hugo meekes, Rene de Gelder
With the current interest in multicomponent crystals containing chiral residues, a wide variety of studies could benefit from a comprehensive inventory of chirality in multicomponent crystals. We combined computational approaches...
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N-H···O Hydrogen Bonding to the Alkoxy Oxygen of a Carboxylic Ester Group: Crystal Structures of Methyl 2,6-Diaminobenzoate and Its Derivatives.

CrystEngComm, 2020, Accepted Manuscript
DOI: 10.1039/D0CE00495B, Paper
John D. Wallis, Alun Christopher Garner, Songjie Yang
Methyl 2,6-diaminobenzoate and its bis-triphenylboron complex show hydrogen bonding from NH2 groups to both oxygen atoms of the carboxylic ester, and there is little difference in the lengths of these...
The content of this RSS Feed (c) The Royal Society of Chemistry