Results 71 to 80 of about 13,631,199 (274)

Metal Active‐Site Exposure via Ligand Engineering Boosts CO2‐to‐Ethylene Conversion on Cu18 Nanoclusters

Advanced Science, EarlyView.
Through quantitative ligand stripping of [Cu18H17(PR3)10]+ nanoclusters via intramolecular interaction modulation, selectivity for CO2 electroreduction to C2H4 is significantly enhanced. The weakly coordinating ligand triggers dual‐ligand stripping (FEC2H4 = 70.59%), whereas the strongly coordinating ligand results in single‐ligand retention (FEC2H4 ...
Ziqi Chen, Yang Zuo, Yu Zhu, Shuo Zhang, Along Ma, Shiyin Yang, Zhengmao Yin, Xiaoshuang Ma, Shuxin Wang   +8 more
wiley   +1 more source

Flavin Catalysts in Organic Synthesis

Angewandte Chemie, EarlyView.
Flavins and their congeners are potent catalysts for organic synthesis inspired by enzymatic transformations. In addition to catalysis in the flavin ground state via covalent intermediates, the excited singlet and triplet states unlock applications including photooxidation, photoreduction, and energy transfer via sensitization.
Jan Freudenberg, Golo Storch
wiley   +2 more sources

N-Heterocyclic carbene/Brønsted acid cooperative catalysis as a powerful tool in organic synthesis

Beilstein Journal of Organic Chemistry, 2012
The interplay between metals and N-heterocyclic carbenes (NHCs) has provided a window of opportunities for the development of novel catalytic strategies within the past few years.
Rob De Vreese, Matthias D’hooghe
doaj   +1 more source

Regio- and enantioselective umpolung gem-difluoroallylation of hydrazones via palladium catalysis enabled by N-heterocyclic carbene ligand

Nature Communications, 2021
Installation of difluoroalkyl groups while also imparting stereochemical information is mostly only possible with organocatalytic methods that activate carbonyls.
Shuai Huang, Fei-Fei Tong, Da-Chang Bai, Gao-Peng Zhang, Yang-Jie Jiang, Bo Zhang, Xuebing Leng, Ying-Long Guo, Xiao-Long Wan, Xingang Zhang, Chang-Hua Ding, Xue-Long Hou   +11 more
doaj   +1 more source

Enantioselective Access to Trifluoromethylated Spirocyclopropyl Heterocycles

Advanced Science, EarlyView.
We report a rhodium‐catalyzed asymmetric [2+1] spirocyclopropanation of methylene azacycles with trifluoromethyl carbenes in situ derived from fluoroalkyl triftosylhydrazones. ABSTRACT Chiral spirocyclopropyl heterocycles have emerged as privileged three‐dimensional structural motifs in medicinal chemistry.
Yuanhao Zhu, Youzhi Xu, Weitao Zhang, Yongyue Ning, Yaojia Jiang, Yongquan Ning, Genping Huang, Jiawei Cheng, Paramasivam Sivaguru, Xihe Bi   +9 more
wiley   +1 more source

Predicting the Reactivity of Acyclic Silylenes and Germylenes in Hydrogen Activation Using Machine Learning

Advanced Science, EarlyView.
Statistical models for the prediction of the energy profile of H2 activation by silylenes and germylenes were developed. A simple model based on increments of the elements in α‐position enabled robust energy prediction, extrapolation to new structures, and transferability to new tetrylenes and substrates.
Michelle Kleinhaus, Henning Remm, Prasenjit Palui, Alexander Linke, Viktoria H. Gessner   +4 more
wiley   +1 more source

Site‐Specific Molecular Engineering Redirects Radical Pathways for Selective Photocatalytic Coupling of Methane to C2+ Hydrocarbons

Angewandte Chemie, EarlyView.
Site‐specific self‐assembly of alkyl thiols on Au/TiO2 enables precise modulation of interfacial electron distribution and the local microenvironment through covalent Au‐thiolate interactions. This site‐specific molecular engineering synergistically promotes surface kinetics and charge separation, suppressing ·O2−‐driven overoxidation and thereby ...
Yaru Shao, Wanying Guo, Wei Li, Gaoyu Cui, Huijie Cheng, Lingfeng Zhu, Liqun Ye, Zihan Qiu, Yu Shan, Rui Li, Tianyi Ma, Jungang Hou   +11 more
wiley   +2 more sources

Thiazol-2-ylidenes as N-Heterocyclic carbene ligands with enhanced electrophilicity for transition metal catalysis

Communications Chemistry, 2022
N-heterocyclic carbenes are widely exploited as ligands in transition metal catalysis, but are largely limited to N-arylimidazolylidenes. Here, the authors report on the steric and electronic properties of thiazol-2-ylidenes, demonstrating that their ...
Jin Zhang, Tao Li, Xiangyang Li, Anqi Lv, Xue Li, Zheng Wang, Ruihong Wang, Yangmin Ma, Ran Fang, Roman Szostak, Michal Szostak   +10 more
doaj   +1 more source

Catalyst‐Specialized Chemical Language Model Based on Transformer Variational Autoencoder for Catalyst Design and Discovery

Advanced Intelligent Discovery, EarlyView.
We present CatTransVAE, a catalyst‐specialized chemical language model (CLM) built on a transformer variational autoencoder (VAE), developed through pretraining on general compounds followed by fine‐tuning on diverse catalyst databases. A template‐guided generation framework is introduced to enable controlled catalyst design under structural ...
Apakorn Kengkanna, Masahito Ohue
wiley   +1 more source

Photometallobiocatalytic Asymmetric Radical‐Mediated Cross‐Coupling of Organotrifluoroborate Salts and Pyridotriazoles

Angewandte Chemie, EarlyView.
An enantioselective photometallobiocatalytic cross‐coupling of pyridotriazoles and secondary alkyltrifluoroborate salts is developed. Cooperative catalysis using eosin B and an engineered protoglobin combines visible‐light‐mediated radical generation with enzymatic metal carbenoid activation, affording valuable N‐heterocyclic products in excellent ...
Huanan Wang, Binh Khanh Mai, Xingjie Zhang, Chongtao Li, Peng Liu, Yang Yang   +5 more
wiley   +2 more sources