Results 71 to 80 of about 1,206,495 (293)

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

Synthesis, crystal structure and Hirshfeld surface analysis of tert-butyl N-acetylcarbamate

Acta Crystallographica Section E Crystallographic Communications, 2022
This article reports a practical synthesis of tert-butyl acetylcarbamate, C7H13NO3, from N-Boc-thioacetamide and the study of its crystal structure. The reaction proceeds in the presence of natural phosphate as a catalyst, with excellent yield, simple workup and benign environment.
El Mestehdi, Aly Dawa, Abba, Moctar, El Housseine, Mohamed Lemine, Ould Hadou, Abderrahmane, Barry, Aliou Hamady, Ould Elemine, Brahim, Jelsch, Christian, Gaye, Mohamed   +7 more
openaire   +3 more sources

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

4-(4-Acetyl-5-methyl-1H-1,2,3-triazol-1-yl)benzonitrile: crystal structure and Hirshfeld surface analysis

Acta Crystallographica Section E: Crystallographic Communications, 2018
The title compound, C12H10N4O, comprises a central 1,2,3-triazole ring (r.m.s. deviation = 0.0030 Å) flanked by N-bound 4-cyanophenyl and C-bound acetyl groups, which make dihedral angles of 54.64 (5) and 6.8 (3)° with the five-membered ring, indicating ...
Julio Zukerman-Schpector, Cássio da S. Dias, Ricardo S. Schwab, Mukesh M. Jotani, Edward R. T. Tiekink   +4 more
doaj   +1 more source

Gradient-Driven Molecule Construction: An Inverse Approach Applied to the Design of Small-Molecule Fixating Catalysts [PDF]

, 2014
Rational design of molecules and materials usually requires extensive screening of molecular structures for the desired property. The inverse approach to deduce a structure for a predefined property would be highly desirable, but is, unfortunately, not ...
Reiher, Markus, Weymuth, Thomas
core   +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

Spin‐Dependent Generation of Surface‐Bound Radicals Toward Selective and Long‐Lasting Water Purification

Advanced Functional Materials, EarlyView.
This study develops a novel atomic engineering strategy to fine‐tune the spin state of α‐Fe2O3 catalysts toward a medium‐spin state, thereby modulating peroxymonosulfate activation and selectively yielding surface‐bound radicals. Compared with free radicals, surface‐bound radicals exhibit moderated oxidation potential, extended lifespan, surface ...
Shuyu Wang, Zhonglin Chen, Jimin Shen, Pengwei Yan, Jing Kang, Binyuan Wang, Shengxin Zhao, Xiaoguang Duan   +7 more
wiley   +1 more source

1-{(E)-[(2E)-3-(4-Methoxyphenyl)-1-phenylprop-2-en-1-ylidene]amino}-3-phenylurea: crystal structure and Hirshfeld surface analysis

Acta Crystallographica Section E: Crystallographic Communications, 2017
The title compound, C23H21N3O2, is constructed about an almost planar disubstituted aminourea residue (r.m.s. deviation = 0.0201 Å), which features an intramolecular amine-N—H...N(imine) hydrogen bond.
Ming Yueh Tan, Karen A. Crouse, Thahira B. S. A. Ravoof, Mukesh M. Jotani, Edward R. T. Tiekink   +4 more
doaj   +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