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1. Co²⁺-Linked [NaP₅W₃₀O₁₁₀]¹⁴⁻: A Redox-Active Metal Oxide Framework with High Electron Density

Author:
Turo, Michael J.; Chen, Linfeng; Moore, Curtis E.; Schimpf, Alina M.
Source:
Journal of the American Chemical Society 2019 v.141 no.11 pp. 4553-4557
ISSN:
1520-5126
Subject:
crystal structure,   etc   ; cobalt; electrons;     Show all 3 Subjects
Abstract:
... A new metal oxide framework based on the redox-active Preyssler anion linked with Co(H₂O)₄²⁺ bridging units is presented. The framework can be photochemically reduced, allowing the storage of multiple electrons under mild conditions. Titrations with molecular redox species show that this reduction is reversible and can accommodate up to 10 electrons per Preyssler cluster (corresponding to an elect ...
DOI:
10.1021/jacs.9b00866

2. A Concise Synthetic Strategy for Accessing Ambient Stable Bisphenalenyls toward Achieving Electroactive Open-Shell π-Conjugated Materials

Author:
Wehrmann, Caleb M.; Charlton, Ryan T.; Chen, Mark S.
Source:
Journal of the American Chemical Society 2019 v.141 no.7 pp. 3240-3248
ISSN:
1520-5126
Subject:
crystal structure,   etc   ; cations; magnetic properties;     Show all 3 Subjects
Abstract:
... Open-shell, π-conjugated molecules represent exciting next-generation materials due to their unique optoelectronic and magnetic properties and their potential to exploit unpaired spin densities to engineer exceptionally close π–π interactions. However, prior syntheses of ambient stable, open-shell molecules required lengthy routes and displayed intermolecular spin–spin coupling with limited dimens ...
DOI:
10.1021/jacs.8b13300

3. An extraordinary cyclohexylmethyl side chain dominating polymeric donor packing patterns and energy levels for efficient non-fullerene polymer solar cells

Author:
Han, Liangliang; Uranbileg, Nergui; Jiang, Shengshi; Xie, Yu; Jiang, Huanxiang; Lan, Zhenggang; Yu, Donghong; Bao, Xichang; Yang, Renqiang
Source:
Journal of materials chemistry A 2019 v.7 no.17 pp. 10505-10513
ISSN:
2050-7496
Subject:
crystal structure,   etc   ; absorbance; energy; polymers; solar cells;     Show all 5 Subjects
Abstract:
... Benefiting from the tremendous efforts devoted to small molecule electron acceptors (SMAs), great progress has been made in non-fullerene polymer solar cells (NF-PSCs). Yet compared with the structurally diverse SMAs, much less attention has been paid to polymeric donors, which are also extremely important components dominating the development of NF-PSCs. A material design concept for obtaining an ...
DOI:
10.1039/c9ta02384d

4. d⁸⋯d¹⁰ Rhᴵ⋯Auᴵ interactions in Rh 2,6-xylylisocyanide complexes with [Au(CN)₂]⁻: bond analysis and crystal effects

Author:
Conejo-Rodríguez, Verónica; Peñas-Defrutos, Marconi N.; Espinet, Pablo
Source:
Chemical communications 2019 v.55 no.34 pp. 5005-5008
ISSN:
1364-548X
Subject:
crystal structure,   etc   ; chemical reactions; chloroform; gold; rhodium;     Show all 5 Subjects
Abstract:
... The well-known [RhL₄]ₙ(anion)ₙ structures, with Rhᴵ⋯Rhᴵ d⁸⋯d⁸ interactions, are replaced by others with Rhᴵ⋯Auᴵ d⁸⋯d¹⁰ interactions such as [{RhL₄}{Au(CN)₂}] (L = 2,6-xylylisocyanide) or [{RhL₄}{Au(CN)₂}{RhL₄}{Au₂(CN)₃}·4(CHCl₃)]∞ when the anion is [Au(CN)₂]⁻. Orbital (Rh⋯Au), coulombic, and inter-unit π–π aryl stacking interactions stabilize these crystal structures. ...
DOI:
10.1039/c9cc01377f

5. Crystal structure of Sc₃Co₁.₆₄In₄ and Sc₁₀Co₉In₂₀ from single-crystal data

Author:
Gulay, Nataliya; Tyvanchuk, Yuriy; Daszkiewicz, Marek; Stel’makhovych, Bohdan; Kalychak, Yaroslav
Source:
Zeitschrift für Naturforschung 2019 v.74 no.3 pp. 289-295
ISSN:
1865-7117
Subject:
crystal structure,   etc   ; X-ray diffraction; crystals; metals;     Show all 4 Subjects
Abstract:
... Two compounds in the Sc-Co-In system were obtained by arc-melting of the pure metals and their crystal structures have been determined using single crystal X-ray diffraction data. The structure of Sc₃Co₁.₆₄In₄ (space group P6̅, а=7.6702(5), c=3.3595(2) Å, Z=1, R₁=0.0160, wR₂=0.0301) belongs to the Lu₃Co₂₋ₓIn₄ type structure, which is closely related to the ZrNiAl and Lu₃CoGa₅ types. The structure ...
DOI:
10.1515/znb-2018-0275

6. Controlling the crystalline structure of imine-linked 3D covalent organic frameworks

Author:
Fischbach, Danyon M.; Rhoades, Grace; Espy, Charlie; Goldberg, Fallon; Smith, Brian J.
Source:
Chemical communications 2019 v.55 no.25 pp. 3594-3597
ISSN:
1364-548X
Subject:
crystal structure,   etc   ; chemical reactions; imines; models; polymers;     Show all 5 Subjects
Abstract:
... We explore the growth mechanism of 3D Covalent Organic Frameworks (COFs) using imine-linked model systems. We confirm that 3D imine COFs crystalize through an amorphous polymer intermediate, whose conditional state is key for preferential generation of the ideal porous structure over the collapsed hydrated form. ...
DOI:
10.1039/c8cc09571j

7. Crystal structure of AlpK: An essential monooxygenase involved in the biosynthesis of kinamycin

Author:
Wang, Wenpeng; Li, Jun; Li, HuanHuan; Fan, Keqing; Liu, Yingfang
Source:
Biochemical and biophysical research communications 2019 v.510 no.4 pp. 601-605
ISSN:
0006-291X
Subject:
crystal structure,   etc   ; biosynthesis; catalytic activity; oxygenases;     Show all 4 Subjects
Abstract:
... AlpK is an essential monooxygenase involved in the biosynthesis of kinamycin. It catalyzes the C5-hyfroxylattion of the crucial benzo[b]-fluorence intermediate in kinamycin synthesis. However, the structure and mechanism of AlpK is unclear. Here, we report the first structure of AlpK in complex with FAD. Our structure sheds light on the catalytic mechanism of AlpK. ...
DOI:
10.1016/j.bbrc.2019.01.077

8. Programmed electrochemical exfoliation of graphite to high quality graphene

Author:
Chen, Duhong; Wang, Fei; Li, Yijuan; Wang, Wei-Wei; Huang, Teng-Xiang; Li, Jian-Feng; Novoselov, Kostya S.; Tian, Zhong-Qun; Zhan, Dongping
Source:
Chemical communications 2019 v.55 no.23 pp. 3379-3382
ISSN:
1364-548X
Subject:
crystal structure,   etc   ; chemical compounds; electrochemistry; graphene; oxidation;     Show all 5 Subjects
Abstract:
... We propose programed potential modulation strategies to balance the ion intercalation/deintercalation, surface tailoring and bubbling dispersion processes in the electrochemical exfoliation of graphite, resulting in high-quality graphene with high crystallinity, low oxidation degree, uniform size distribution and few layers. ...
DOI:
10.1039/c9cc00393b

9. Improved synthesis of β-ketoenamine-linked covalent organic frameworks via monomer exchange reactions

Author:
Daugherty, Michael C.; Vitaku, Edon; Li, Rebecca L.; Evans, Austin M.; Chavez, Anton D.; Dichtel, William R.
Source:
Chemical communications 2019 v.55 no.18 pp. 2680-2683
ISSN:
1364-548X
Subject:
crystal structure,   etc   ; chemical compounds; chemical reactions;     Show all 3 Subjects
Abstract:
... β-Ketoenamine-linked covalent organic frameworks (COFs) offer excellent structural versatility and outstanding aqueous stability, but their stability complicates obtaining samples with high crystallinity and surface areas. In contrast, imine-linked COFs are often isolated with superior materials quality. Here we synthesize several β-ketoenamine-linked COFs, including two unreported structures, wit ...
DOI:
10.1039/c8cc08957d

10. Resist-Free Direct Stamp Imprinting of GaAs via Metal-Assisted Chemical Etching

Author:
Kim, Kyunghwan; Ki, Bugeun; Choi, Keorock; Lee, Seungmin; Oh, Jungwoo
Source:
ACS applied materials & interfaces 2019 v.11 no.14 pp. 13574-13580
ISSN:
1944-8252
Subject:
crystal structure,   etc   ; anisotropy; materials science; semiconductors;     Show all 4 Subjects
Abstract:
... We introduce a method for the direct imprinting of GaAs substrates using wet-chemical stamping. The predefined patterns on the stamps etch the GaAs substrates via metal-assisted chemical etching. This is a resist-free method in which the stamp and the GaAs substrate are directly pressed together. Imprinting and etching occur concurrently until the stamp is released from the substrate. The stamp im ...
DOI:
10.1021/acsami.9b00456

11. Vanadium Docked Covalent-Organic Frameworks: An Effective Heterogeneous Catalyst for Modified Mannich-Type Reaction

Author:
Vardhan, Harsh; Hou, Linxiao; Yee, Eaindra; Nafady, Ayman; Al-Abdrabalnabi, Mohammed A.; Al-Enizi, Abdullah M.; Pan, Yanxiong; Yang, Zhongyu; Ma, Shengqian
Source:
ACS sustainable chemistry & engineering 2019 v.7 no.5 pp. 4878-4888
ISSN:
2168-0485
Subject:
crystal structure,   etc   ; catalysts; catalytic activity; ions; vanadium;     Show all 5 Subjects
Abstract:
... Accurate and precise control of the transition-metal ions in the docking sites of porous functional materials especially covalent-organic frameworks (COFs) is a challenging task in the synthesis of hybrid materials. In this work, we demonstrate the successful synthesis, characterization, and utilization of two stable vanadium docked COFs, namely VO-TAPT-2,3-DHTA and VO-PyTTA-2,3-DHTA as efficient ...
DOI:
10.1021/acssuschemeng.8b05373

12. An N-Terminal Extension to UBA5 Adenylation Domain Boosts UFM1 Activation: Isoform-Specific Differences in Ubiquitin-like Protein Activation

Author:
Soudah, Nadine; Padala, Prasanth; Hassouna, Fouad; Kumar, Manoj; Mashahreh, Bayan; Lebedev, Andrey A.; Isupov, Michail N.; Cohen-Kfir, Einav; Wiener, Reuven
Source:
Journal of molecular biology 2019 v.431 no.3 pp. 463-478
ISSN:
0022-2836
Subject:
crystal structure,   etc   ; adenosine triphosphate; humans; proteins;     Show all 4 Subjects
Abstract:
... Modification of proteins by the ubiquitin-like protein, UFM1, requires activation of UFM1 by the E1-activating enzyme, UBA5. In humans, UBA5 possesses two isoforms, each comprising an adenylation domain, but only one containing an N-terminal extension. Currently, the role of the N-terminal extension in UFM1 activation is not clear. Here we provide structural and biochemical data on UBA5 N-terminal ...
DOI:
10.1016/j.jmb.2018.10.007

13. Comprehensive elucidation of crystal structures of lithium-intercalated graphite

Author:
Matsunaga, Toshiyuki; Takagi, Shigeharu; Shimoda, Keiji; Okazaki, Ken-ichi; Ishikawa, Yoshihisa; Yonemura, Masao; Ukyo, Yoshio; Fukunaga, Toshiharu; Matsubara, Eiichiro
Source:
Carbon 2019 v.142 pp. 513-517
ISSN:
0008-6223
Subject:
crystal structure,   etc   ; anodes; batteries; graphene; lithium; models;     Show all 6 Subjects
Abstract:
... Graphite is widely used as an anode material in almost all Lithium (Li)-ion batteries. Li is easily absorbed into the layer structure of graphite, forming lithium-carbon intercalation compounds LixC between LiC6 and C. However, although they are simple binary compounds, their structures have been left unelucidated for a long time, especially for the compounds between LiC12 and C. This is probably ...
DOI:
10.1016/j.carbon.2018.10.071

14. Crystal Engineering of Biphenylene-Containing Acenes for High-Mobility Organic Semiconductors

Author:
Wang, Jinlian; Chu, Ming; Fan, Jian-Xun; Lau, Tsz-Ki; Ren, Ai-Min; Lu, Xinhui; Miao, Qian
Source:
Journal of the American Chemical Society 2019 v.141 no.8 pp. 3589-3596
ISSN:
1520-5126
Subject:
crystal structure,   etc   ; anthracenes; crystals; engineering; transistors;     Show all 5 Subjects
Abstract:
... Herein we report the synthesis, crystal structures, and semiconductor properties of new derivatives of bisnaphtho[2′,3′:3,4]cyclobut[1,2-b:1′,2′-i]anthracene (BNCBA). It is found that the π–π stacking of BNCBA in single crystals can be largely modified by alkyl substituting groups of different lengths. In particular, the tetrahexyl derivative exhibits π–π stacking with an unusual zigzag arrangemen ...
DOI:
10.1021/jacs.8b12671

15. Initial Growth of Pentacene Thin Film on Si(001) Substrate

Author:
Suzuki, T.; Yagyu, K.; Tochihara, H.
Source:
Journal of physical chemistry 2019 v.123 no.5 pp. 2996-3003
ISSN:
1932-7455
Subject:
crystal structure,   etc   ; scanning tunneling microscopy; silicon;     Show all 3 Subjects
Abstract:
... Initial growth process of pentacene molecules on clean Si(001)-2 × 1 substrate was investigated by scanning tunneling microscopy. It is found that the wetting layer, which is not crystalline but disordered, forms before the growth of a first crystalline layer. The wetting layer consists of double layer of the flatly adsorbed pentacene molecules. The formation of the wetting double layer is discuss ...
DOI:
10.1021/acs.jpcc.8b11238

16. New high-pressure phases of Fe₇N₃ and Fe₇C₃ stable at Earth's core conditions: evidences for carbon–nitrogen isomorphism in Fe-compounds

Author:
Sagatov, Nursultan; Gavryushkin, Pavel N.; Inerbaev, Talgat M.; Litasov, Konstantin D.
Source:
RSC advances 2019 v.9 no.7 pp. 3577-3581
ISSN:
2046-2069
Subject:
crystal structure,   etc   ; carbon; nitrogen; prediction; temperature; thermodynamics;     Show all 6 Subjects
Abstract:
... We carried out ab initio calculations on the crystal structure prediction and determination of P–T diagrams within the quasi-harmonic approximation for Fe₇N₃ and Fe₇C₃. Two new isostructural phases Fe₇N₃-C2/m and Fe₇C₃-C2/m which are dynamically and thermodynamically stable under the Earth's core conditions were predicted. The Fe₇C₃-C2/m phase stabilizes preferentially to the known h-Fe₇C₃ at 253– ...
DOI:
10.1039/c8ra09942a

17. Strain-effected physical properties of ferromagnetic insulating La₀.₈₈Sr₀.₁₂MnO₃ thin films

Author:
Kim, Younghak; Ryu, Sangkyun; Jeen, Hyoungjeen
Source:
RSC advances 2019 v.9 no.5 pp. 2645-2649
ISSN:
2046-2069
Subject:
crystal structure,   etc   ; magnetic properties; magnetism; physical properties;     Show all 4 Subjects
Abstract:
... The functional perovskite La₁₋ₓSrₓMnO₃ (LSMO) possesses various exotic phases owing to competing physical parameters and internal degrees of freedom. In particular, the nature of the ferromagnetic insulating phase (FMI) has not been adequately explored, resulting in a limited understanding of the relationship between crystal structure and magnetism. To investigate this structure–property relations ...
DOI:
10.1039/c8ra09851d

18. Morphology controlling of 〈111〉-3C–SiC films by HMDS flow rate in LCVD

Author:
Xu, Qingfang; Tu, Rong; Sun, Qingyun; Yang, Meijun; Li, Qizhong; Zhang, Song; Zhang, Lianmeng; Goto, Takashi; Ohmori, Hitoshi; Shi, Ji; Li, Haiwen; Kosinova, Marina; Bikramjit, Basu
Source:
RSC advances 2019 v.9 no.5 pp. 2426-2430
ISSN:
2046-2069
Subject:
crystal structure,   etc   ; carbon; silanes; silicon carbide; vapors;     Show all 5 Subjects
Abstract:
... Morphology of 〈111〉-oriented 3C–SiC films was transformed from mosaic to whisker to cauliflower-like with the increased flow rate (f) of hexametyldisilane (HMDS) in the process of laser chemical vapor deposition (LCVD). The SiC whiskers were naturally sharp hexagonal pyramids with average height of 250 nm and an aspect ratio in the range of 5 to 10, with a density of 1.3 × 10⁸ mm⁻². The influence ...
DOI:
10.1039/c8ra09509d

19. Photoisomerization and thermal isomerization of ruthenium aqua complexes with chloro-substituted asymmetric bidentate ligands

Author:
Hirahara, Masanari; Goto, Hiroki; Yamamoto, Rei; Yagi, Masayuki; Umemura, Yasushi
Source:
RSC advances 2019 v.9 no.4 pp. 2002-2010
ISSN:
2046-2069
Subject:
crystal structure,   etc   ; isomers; ligands; photoisomerization; quinoline; ruthenium;     Show all 6 Subjects
Abstract:
... A series of ruthenium complexes with chloro-substituted bidentate ligands, proximal-[Ru(tpy)(Cl-pyqu)L]ⁿ⁺ [n = 1 for L = Cl, and n = 2 for L = OH₂, tpy = 2,2′;6′,2′′-terpyridine, pyqu = 2-(2′-pyridyl)quinoline] were synthesized and their reversible photoisomerizations and thermal isomerizations were investigated experimentally. The crystal structures of the complexes indicated that introduction of ...
DOI:
10.1039/c8ra08943d

20. Ultrafast Charge Separation from a “Cold” Charge-Transfer State Driven by Nonuniform Packing of Polymers at Donor/Acceptor Interfaces

Author:
Li, Chong; Li, Yuan; Zhang, Maomao; Xu, Lingxia; Qin, Wei; Gao, Kun
Source:
Journal of physical chemistry 2019 v.123 no.5 pp. 2746-2754
ISSN:
1932-7455
Subject:
crystal structure,   etc   ; fullerene; models; polymers; solar cells;     Show all 5 Subjects
Abstract:
... Understanding the mechanism of how a “cold” charge-transfer (CCT) state is dissociated into free charges and how morphologies of bulk heterojunction thin films affect such a process is of critical importance for improving the overall efficiency of polymer solar cells (PSCs). Here, by modeling a polymer/fullerene-based donor/acceptor interface in the transition region from an intermixed polymer/ful ...
DOI:
10.1021/acs.jpcc.8b10585