Results 101 to 110 of about 16,385 (196)

Selenocyanate Driven Organic Cations Homogenization in Wide‐Bandgap Perovskite

Advanced Energy Materials, EarlyView.
Selenocyanate pseudohalide doping stabilizes 1.66 eV wide‐bandgap formamidinium (FA)‐based perovskite lattices via strong FA+ hydrogen bonding and matched ionic radii. Uniform cation distribution and suppressed ion migration reduces defect losses, delivering >24% single‐junction efficiency and 32.66% perovskite/silicon tandem performance with ...
Zhi‐Wen Gao, Jun Fang, Yehui Wen, Longbin Qiu, Jiajia Zhang, Yong Wang, Wallace C. H. Choy   +6 more
wiley   +1 more source

Highly Enantio‐ and Diastereoselective Synthesis of Tetrahydrofuran Frameworks via Chiral Lewis Acid‐Catalyzed Formal [3+2] Cycloaddition of Allylsilanes

Angewandte Chemie, EarlyView.
The first catalytic asymmetric formal [3+2] cycloaddition of allylsilanes delivers cis‐2,5‐disubstituted tetrahydrofuran‐3‐ones that serve as versatile intermediates for the synthesis of diverse bioactive scaffolds. ABSTRACT A formal [3+2] cycloaddition via cyclization/1,2‐hydride shift initiated by nucleophilic attack of allylsilanes has been ...
Hosung Lee, Dong Kyu Kim, Pingshan Xin, Jin Won Lee, Terim Seo, Do Hyun Ryu   +5 more
wiley   +2 more sources

Deep Learning–Based Extraction of Promising Material Groups and Common Features from High‐Dimensional Data: A Case of Optical Spectra of Inorganic Crystals

Advanced Intelligent Discovery, EarlyView.
We report a novel interpretation method for deep learning models based on feature extraction and clustering. Applying this method to an atomistic line graph neural network (ALIGNN) model trained on optical absorption spectra of 2,681 inorganic compounds obtained from first‐principles calculations, we successfully identify key factors underlying ...
Akira Takahashi, Yu Kumagai, Arata Takamatsu, Fumiyasu Oba   +3 more
wiley   +1 more source

Redox‐Neutral Vicinal Dialkylation of Aryl Boronic Esters via the Palladium/Norbornene Cooperative Catalysis

Angewandte Chemie, EarlyView.
A new mode of the palladium/norbornene (Pd/NBE) cooperative catalysis, that is, redox‐neutral difunctionalization of aryl boronic esters with two electrophiles, has been developed, which can be used to streamline the preparation of a functionalized benzoazepane.
Rong Ye, Peimiao He, Liyan Kan, Thomas R. Plambeck, Guangbin Dong   +4 more
wiley   +2 more sources

Accelerating Discovery of Organic Molecular Crystals via Materials Informatics and Autonomous Experiments

Advanced Intelligent Discovery, EarlyView.
Materials informatics and autonomous experimentation are transforming the discovery of organic molecular crystals. This review presents an integrated molecule–crystal–function–optimization workflow combining machine learning, crystal structure prediction, and Bayesian optimization with robotic platforms.
Takuya Taniguchi, Kazuki Ishizaki, Ryo Fukasawa   +2 more
wiley   +1 more source

Generative and Experimental Validation of High Refractive Index Polymers via Domain Knowledge Approach with Small Data

Advanced Intelligent Discovery, EarlyView.
This research demonstrates that the combination of domain knowledge–based multiple regression, multi‐objective Bayesian optimization, and generative models is a suitable prediction tool for candidates of high refractive index polymers, even with the constraints in the model trained on limited data. The experimental validation can reproduce the proposed
Takuya Yokoo, Seigo Watanabe, Hana Matsunaga, Kenichi Oyaizu   +3 more
wiley   +1 more source

Direct Access to Chiral Piperidines by Enantioselective HAT‐Initiated C(sp3)─H Oxidation

Angewandte Chemie, EarlyView.
The direct desymmetrization of piperidines is achieved through manganese‐catalyzed enantioselective α‐C(sp3)─H oxidation with hydrogen peroxide, affording versatile chiral N,O‐acetals in good yields and with high enantio‐ and diastereoselectivity. These intermediates provide access to diverse functionalized piperidines with retention of chirality ...
Sethuraman Muthuramalingam, Josep M. Luis, Arnau Call, Quentin Lefebvre, Matthew S. Sigman, Miquel Costas   +5 more
wiley   +2 more sources

Isolable C‐Phosphonio‐Boratavinyl Anion

Angewandte Chemie, EarlyView.
A persistent C‐phosphonio boratavinyl anion was successfully synthesized. This boron‐containing vinyl lithium, featuring a vinyl carbon with an excessively high negative charge, exhibits remarkable nucleophilic and basic character, which was demonstrated by the result of a rapid reaction with H2 at RT.
Huihui Xu, Aurora Rodríguez‐Álvarez, Md Jabed Hossain, Antoine Baceiredo, Eddy Maerten, Nathalie Saffon‐Merceron, Vicenç Branchadell, Tsuyoshi Kato   +7 more
wiley   +2 more sources

Introducing Diradicaloid Thiele's Hydrocarbon Derivatives as Ligand in Transition Metal Chemistry

Angewandte Chemie, EarlyView.
N‐doped Thiele's hydrocarbon derivative is introduced as a ligand for the synthesis of mono‐ and bimetallic rhodium complexes as well as cyclometalated iridium complexes. These compounds constitute the first metal complexes based on a Thiele's hydrocarbon (or p‐quinodimethane) derivative and, to the best of our knowledge, the first cyclometalated ...
Alok Mahata, Nicolás. I. Neuman, Biprajit Sarkar   +2 more
wiley   +2 more sources

Methyllithium and Its Oligomers as Lewis Bases for Hydrogen and Halogen Bonding. [PDF]

Chemphyschem
Jia Z, Li Q, Scheiner S.
europepmc   +1 more source