Results 71 to 80 of about 1,209,817 (305)

Tailoring Redox Active Sites with Dual‐Interfacial Electric Fields for Concurrent Photocatalytic Biomass Valorization and H2 Production

Advanced Functional Materials, EarlyView.
A rationally engineered bifunctional photocatalyst is reported, which achieves simultaneous selective oxidation of biomass‐derived 5‐hydroxymethylfurfural (HMF) to 2,5‐diformylfuran (DFF) and efficient H2 evolution. By precisely positioning Au and Co3O4 on Zn3In2S6 nanosheet, dual interfacial electric fields are well constructed to spatially separate ...
Shiqing Li, Sugang Meng, Huijun Zhang, Alain R. Puente‐Santiago, Zhongliao Wang, Shifu Chen, Mario J. Muñoz‐Batista, Yu‐Ming Zheng, Bo Weng   +8 more
wiley   +1 more source

Crystal structure and Hirshfeld surface analysis of (E)-3-(3-iodophenyl)-1-(4-iodophenyl)prop-2-en-1-one

Acta Crystallographica Section E: Crystallographic Communications, 2020
The title compound, C15H10I2O, is a halogenated chalcone formed from two iodine substituted rings, one para-substituted and the other meta-substituted, linked through a prop-2-en-1-one spacer.
Kieran J. Spruce, Charlie L. Hall, Jason Potticary, Natalie E. Pridmore, Matthew E. Cremeens, Gemma D. D'ambruoso, Masaomi Matsumoto, Gabrielle I. Warren, Stephen D. Warren, Simon R. Hall   +9 more
doaj   +1 more source

Crystal structure and Hirshfeld surface analysis of (3aR,4S,7S,7aS)-4,5,6,7,8,8-hexachloro-2-{6-[(3aR,4R,7R,7aS)-4,5,6,7,8,8-hexachloro-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl]hexyl}-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione

Acta Crystallographica Section E: Crystallographic Communications, 2021
The molecule of the title compound, C24H16Cl12N2O4, is generated by a crystallographic inversion centre at the midpoint of the central C—C bond. A kink in the molecule is defined by a torsion angle of −169.86 (15)° about this central bond of the alkyl ...
Aygun I. Alikhanova, Zeliha Atioğlu, Mehmet Akkurt, Sixberth Mlowe   +3 more
doaj   +1 more source

Synthesis, Characterizations, Hirshfeld Surface Analysis, DFT, and NLO Study of a Schiff Base Derived from Trifluoromethyl Amine

ACS Omega
We synthesized an imine-based (Schiff base) crystalline organic chromophore, i.e., (E)-2-ethoxy-6-(((3-(trifluoromethyl)phenyl)imino)methyl)phenol (ETPMP), and explored its nonlinear optical (NLO) properties.
M. Tahir, Muhammad Ashfaq, K. Munawar, Ahsan Ullah Khan, Muhammad Adnan Asghar, T. Ahamad, S. Ojha   +6 more
semanticscholar   +1 more source

Structural Analysis and Reactivity Insights of (E)-Bromo-4-((4-((1-(4-chlorophenyl)ethylidene)amino)-5-phenyl-4H-1,2,4-triazol-3-yl)thio)-5-((2-isopropylcyclohexyl)oxy) Furan-2(5H)-one: A Combined Approach Using Single-Crystal X-ray Diffraction, Hirshfeld Surface Analysis, and Conceptual Density Fun

Crystals, 2023
This study presents a comprehensive exploration of the structure–reactivity relationship of (E)-3-bromo-4-((4-((1-(4-chlorophenyl)ethylidene)amino)-5-phenyl-4H-1,2,4-triazol-3-yl)thio)-5-((2-isopropylcyclohexyl)oxy)furan-2(5H)-one.
A. Bakheit, Mohamed W. Attwa, A. Kadi, H. Alkahtani   +3 more
semanticscholar   +1 more source

Hirshfeld surface analysis and crystal structure of N-(2-methoxyphenyl)acetamide [PDF]

Acta Crystallographica Section E Crystallographic Communications, 2019
The title compound, C9H11NO2, was obtained as unexpected product from the reaction of (4-{2-benzyloxy-5-[(E)-(3-chloro-4-methylphenyl)diazenyl]benzylidene}-2-phenyloxazol-5(4H)-one) with 2-methoxyaniline in the presence of acetic acid as solvent. The amide group is not coplanar with the benzene ring, as shown by the C—N—C—O and C—N—C—C torsion angles ...
Mavise Yaman, Necmi Dege, Mzgin M. Ayoob, Awaz J. Hussein, Mohammed K. Samad, Igor O. Fritsky   +5 more
openaire   +4 more sources

Geometrically‐Screened, Sterically‐Hindered Additive for Wide‐Temperature Aqueous Zinc‐Ion Batteries

Advanced Functional Materials, EarlyView.
A molecular‑engineering strategy combining steric hindrance tuning with geometric optimization identifies cellobiose as an ideal additive for aqueous zinc‑ion batteries, enabling stable Zn deposition across a wide temperature range from −30 to 50 °C. Abstract Aqueous zinc‐ion batteries (AZIBs) are emerging as a highly promising alternative to lithium ...
Sida Zhang, Shengyang Huang, Weigen Chen, Zuyang Hu, Dong Hyun Min, Jun Su Kim, Hao Fu, Young Soo Yun, Won‐Chul Cho, Byung‐Hyun Kim, Baoyu Li, Chengchao Li, Jingyu Sun, Ho Seok Park   +13 more
wiley   +1 more source

Supramolecular study, Hirshfeld analysis and theoretical study of 6-methoxyquinoline N-oxide dihydrate [PDF]

, 2013
In the crystal structure of 6-methoxyquinoline N-oxide dihydrate, C10H9NO2 center dot 2H(2)O, (I), the presence of two-dimensional water networks is analysed.
Hernandez, Geraldine, Kennedy, Alan, Moreno-Fuquen, Rodolfo, Morrison, Catriona A.   +3 more
core   +1 more source

N-(6-Methoxypyridin-2-yl)-1-(pyridin-2-ylmethyl)-1H-pyrazole-3-carboxamide: crystal structure and Hirshfeld surface analysis

Acta Crystallographica Section E: Crystallographic Communications, 2018
The title compound, C16H15N5O2, adopts the shape of the letter L with the dihedral angle between the outer pyridyl rings being 78.37 (5)°; the dihedral angles between the central pyrazolyl ring (r.m.s.
Vivek C. Ramani, Rina D. Shah, Mukesh M. Jotani, Edward R. T. Tiekink   +3 more
doaj   +1 more source

Synthesis, Crystal Structure, DFT Calculations, Hirshfeld Surface Analysis and In Silico Drug-Target Profiling of (R)-2-(2-(1,3-Dioxoisoindolin-2-yl)propanamido)benzoic Acid Methyl Ester

Molecules, 2023
The work here reflects synthesis, DFT studies, Hirshfeld charge analysis and crystal data exploration of pharmacologically important (R)-2-(2-(1,3-dioxoisoindolin-2-yl)propanamido)benzoic acid methyl ester (5) to understand its properties for further ...
S. Rubab, A. R. Raza, Bushra Nisar, Muhammad Ashfaq, Yasir Altaf, Riaz Hussain, Noreen Sajjad, M. Akram, M. Tahir, M. A. Shaheen, Muhammad Fayyaz ur Rehman, H. Ali   +11 more
semanticscholar   +1 more source