Theoretical Screening of the Water Oxidation Electrocatalytic Cycle Promoted by Single-Site Macrocyclic Copper(II) Complexes: Unraveling the Role of the HPO4 2- Anion under Neutral Conditions [0.03%]
理论筛选促进单个位点大环铜（II）配合物的水分解氧化电催化循环的作用：解开中性条件下HPO4 2-阴离子的作用
João Pedro C S Neves,Joel Leitão Nascimento,Bruno S Sampaio et al.
João Pedro C S Neves et al.
Herein, a comprehensive theoretical investigation of the electrocatalytic cycle related to water oxidation (WO) (i.e., the bottleneck of H2 electrochemical production) catalyzed by a single-site copper-(II) complex bearing the 14-TMC ligand...
Rotational Behavior in Piano Stool Ru(II) Complexes with Bulky-Substituted Cyclopentadienyl Ligands [0.03%]
具有体积取代环戊二烯基配体的钢琴凳型Ru(II)配合物中的旋转行为
Naoki Ito,Toshio Nishino,Jérôme Cuny et al.
Naoki Ito et al.
In this study, we designed and synthesized a series of novel piano stool ruthenium complexes featuring bulky substituents on the cyclopentadienyl (Cp) ligand to investigate how the substituent structure affects rotational behavior around th...
Access to N‑Fluorinated Azapeptides and Azapeptoids as Peptidomimetic Scaffolds [0.03%]
N-氟化氮肽和氮亚肽的获得及其作为肽模仿支架的研究
Dimitra Kyrko,Tingting Cao,Pascal Retailleau et al.
Dimitra Kyrko et al.
In this study, a diverse range of short azapeptides and azapeptoids incorporating -CH2CF3 or -CH2CF2H groups was synthesized. The key strategy involved coupling fluorinated hydrazines with amino acids using acyl chloride derivatives or trip...
Recent Advances in C-H Perfluoroalkyl Thiolation and Perfluoroalkyl Sulfonylation [0.03%]
近年发展的C-H活化 perfluoroalkylation反应及研究进展
Sichang Wang,Liying Zhang,Fei Hong et al.
Sichang Wang et al.
This review comprehensively summarizes the recent advances in the direct C-H perfluoroalkyl thiolation and perfluoroalkyl sulfonylation, focusing on the incorporation of -SCF3 and -SO2CF3 motifs. Due to their exceptional lipophilicity, elec...
Electrochemical Halogenation and Etherification of Alcohols Enabled by a Halide-Coupled Phosphine Oxidation [0.03%]
卤化物耦合磷氧化促进的醇的电化学卤化和醚化反应
Emma A Hale,Vincent Tc Ngo,Qilei Zhu
Emma A Hale
Phosphine-mediated nucleophilic substitution reactions of alcohol substrates, such as the Appel and Mitsunobu reactions, have found widespread applications in chemical synthesis. However, their reliance on stoichiometric chemical oxidants (...
Dinesh Singh,Vandana Kardam,Kshatresh Dutta Dubey
Dinesh Singh
Propionate side chains are essential structural components of porphyrin-based metalloenzymes. While numerous studies have investigated the functional significance of propionate side chains from various perspectives, comprehensive reviews fo...
Guest-Induced Conformational Switching in "One Wall" Calix[4]pyrrole Cavitands Functionalized with an Inwardly Directed Carboxylic Acid [0.03%]
guests诱导的“One wall”Calix[4]吡咯空心囊（用朝内的羧酸官能团功能化）构象转换
Mingkai Zhao,Andrés F Sierra,Gemma Aragay et al.
Mingkai Zhao et al.
We report the design, synthesis, and conformational analysis of two aryl-extended calix[4]-pyrrole (AE-C[4]-P) cavitands that feature a single methylene bridge and an opposed aromatic bridging wall with an inward-facing carboxylic acid. Ins...
Identifying Reactivity Differences of Two-Carbon-Atom-Based Legacy Refrigerants at Group 9 Metal Pincer Complexes [0.03%]
基于两个碳原子的 legacy 制冷剂在第 9 系列金属钳形配合物中反应活性差异的识别
Luc A Mauro,Isabelle A Herlinger,Shane J Hall et al.
Luc A Mauro et al.
We describe the first comparative data on metal-mediated C-H activation and functionalization reactions at two-carbon-atom legacy refrigerants and density functional theory (DFT) analyses on the resulting organometallic products. We reveal ...
Recent Advancements in Nickel-Catalyzed Electrochemical Reductive Cross-Coupling [0.03%]
镍催化电化学还原交叉偶联的最新进展
Subban Kathiravan,Ian A Nicholls
Subban Kathiravan
Nickel-catalyzed electrochemical cross-coupling has emerged as an important advancement in synthetic chemistry, combining the versatile catalytic properties of nickel with the sustainability and precision of electrochemical methods. This re...
Synthesis and Electronic Structure of a Tetraazanaphthalene Radical-Bridged Yttrium Complex [0.03%]
一个四氮萘桥连钇配合物的合成及其电子结构研究
Saroshan Deshapriya,Selvan Demir
Saroshan Deshapriya
Taming radical anions with highly electropositive metal ions poses a grand synthetic challenge owing to the high reactivity of such compounds originating from the unpaired electron. A successful synthetic metal radical match elicits a desir...