ArtikelModification of Hollow Expanded Microspheres with Superior Thermal Insulation Properties and Their Applicationsvon Tiantian Zhao et al. · 15.03.2023 Thermally expanded microspheres hold great potential in the field of multifunctional three-dimensional materials. Their preparation method is simple and widely applicable, and different functional nanoparticle-coated hollow microspheres can be selec...
ArtikelIdentification and Characterization of the Isomeric Impurity of the Fungicide “Cyazofamid”von Jyoti Kannoujia et al. · 15.03.2023 Isolation by preparative HPLC and characterization by NMR, LC/HRMS, MS/MS and single-crystal XRD analysis confirmed the impurity present is an isomer of cyazofamid, wherein the N,N-dimethyl sulfonamide group was positioned on the other nitrogen of i...
ArtikelPreparation of a SiO2@Carbon Sphere/SiO2−CNF Multilayer Self‐standing Anode Prepared via an Alternate Electrospraying – Electrospinning Techniquevon Xuhui Wang et al. · 15.03.2023 A robust multi-layer functionalized SiO2@carbon sphere/SiO2−CNF composite self-standing anode was initially fabricated by alternate electrospinning-electrospray techniques, which could increase the loaded content of active particles and mechanical p...
ArtikelMechanistic Study of Chemoselectivity for Carbon Radical Hydroxylation versus Chlorination with FeIII(OH)(Cl) Complexesvon Miao Yang et al. · 15.03.2023 DFT calculations reveal that the equatorial hydroxyl group in the isomers of the FeIII(OH)(Cl) complex prefers to transfer to rebind with the radical to form the hydroxylation product. Abstract The FeIII(OH)(Cl) complex resembles the key intermedi...
ArtikelSelective and Generic Photocatalytic Oxidation of Alcohol with Pd−TiO2 Thin Films: Butanols to Butanal/Butanone with Different Morphologies of Pd and 0.5θPt‐Pd Counterpartsvon Kranti N. et al. · 15.03.2023 A generic, selective and sustainable oxidation of alcohol to aldehyde/ketone has been demonstrated with different butanols under sunlight at ambient conditions. Photon to chemical energy conversion has been achieved and can be fine-tuned with shape-...
ArtikelElectrode Materials of Cobaltous Fluoride for Supercapacitor and Electrocatalysis Applicationsvon Zheng‐Hua He et al. · 15.03.2023 The electrochemical behavior of CoF2 in LiOH solution is different from that in other alkaline solution in that the charge-discharge curve has a quasi-isosceles triangle shape. Meanwhile, CoF2 as catalyst for HER requires an overpotential of only 16...
ArtikelActivation Mechanism of a Peroxymonosulfate‐based Fenton‐like System with Birnessite and Cu2+ Modified Birnessitevon Rujia Guo et al. · 15.03.2023 Cu-Bir formed on the surface of birnessite by the chemical bonding of Cu2+ can transform the Fenton-like reaction mechanism from a non-radical mechanism to a radical and non-radical synergistic mechanism, which greatly promotes the efficiency of the...
ArtikelCombustion‐Assisted Polyol Reduction Method to Prepare Highly Transparent and Efficient Pt Counter Electrodes for Bifacial Dye‐Sensitized Solar Cellsvon Ghifari M. et al. · 15.03.2023 Combustion-assisted polyol reduction allows for achieving optically transparent and electrocatalytically efficient Pt counter electrodes (CEs) for bifacial dye-sensitized solar cells (DSSCs). The best bifacial DSSCs exhibit power conversion efficien...
ArtikelRationally Designed Matrix‐Free Carbon Dots with Wavelength‐Tunable Room‐Temperature Phosphorescencevon Hetong Qi et al. · 15.03.2023 The rational design of matrix-free carbon dots (C-dots) with long-wavelength and wavelength-tunable room-temperature phosphorescence (RTP) is reported. Three matrix-free C-dots exhibit a controllable RTP emission at 540, 550 and 570 nm under an exci...
ArtikelAnticooperativity and Competition in Some Cocrystals Featuring Iodine‐Nitrogen Halogen Bondsvon Mahée Côté et al. · 15.03.2023 Cocrystals of 1,3,5-trifluoro-2,4,6-triiodobenzene with N-heterocyclic compounds feature linear iodine⋅⋅⋅nitrogen halogen bonds. Anticooperativity is overcome in a cocrystal containing acridine, wherein all three iodine atoms engage in moderately st...
ArtikelSupported Palladium‐Catalyzed Tandem Synthesis of 2‐(Alkylamino/amino)‐3‐arylquinazolin‐4(3H)‐ones Employing CO Sourcevon Poonam Sharma et al. · 15.03.2023 An efficient tandem addition and intramolecular aminocarbonylative cyclization has been developed for the synthesis of various 2-(benzyl/alkylamino)-3-arylquinazolin-4(3H)-one derivatives. This approach has been successfully extended for the synthes...
ArtikelHeptagon/Octagon‐Fused Diporphyrins or Spiro‐Pentagon‐Bridged Dichlorin from p‐Terphenylene‐Bridged Diporphyrinvon Peng Lin et al. · 15.03.2023 Intramolecular fusion reactions of a p-terphenylene-bridged NiII porphyrin dimer gave syn- and anti-doubly heptagon-fused NiII porphyrin dimers, a spiro-pentagon-bridged NiII chlorin dimer and a doubly octagon-fused NiII porphyrin dimer depending up...
ArtikelA New Motif in Halogen Bonding: Cooperative Intermolecular S−Br⋅⋅⋅O, O⋅⋅⋅F, and F⋅⋅⋅F Associations in the Crystal Packing of α,ω‐Di(sulfonyl bromide) Perfluoroalkanesvon Max Wacha et al. · 15.03.2023 At 2.911(4) Å, the S−Br⋅⋅⋅O halogen bonds in BrSO2(CF2)4SO2Br are 0.316 Å shorter than the corresponding S−Cl⋅⋅⋅O interactions in ClSO2(CF2)4SO2Cl, while these distances are much more comparable in BrSO2(CF2)6SO2Br, BrSO2(CF2)8SO2Br, and ClSO2(CF2)6...
ArtikelFrom Textile Coloring to Light‐emitting Electrochemical Devices: Upcycling of the Isoviolanthrone Vat Dyevon Tatiana Ghanem et al. · 15.03.2023 Major environmental pollutants, vat dyes nonetheless represent ideal and accessible candidates for chemical upcycling since produced at ton-scale and usually composed of large π-conjugated scaffolds. In this context, we report herein a successful ex...
ArtikelSolid‐state NMR Spectroscopy of Iodine(I) Complexesvon Jas S. et al. · 15.03.2023 Solid-state NMR specroscopy has been applied to the study of halogen(I) ions by measuring 15N CPMAS NMR spectra for a series of iodine(I) complexes, [L-I-L]PF6 (L=pyridine, 4-ethylpyridine, 4-dimethylaminopyridine, isoquinoline). The results indicat...
ArtikelA Bench‐stable 8‐Aminoquinoline Derived Phosphine‐free Manganese (I)‐Catalyst for Environmentally Benign C(α)‐Alkylation of Oxindoles with Secondary and Primary Alcoholsvon Parul Saini et al. · 15.03.2023 A new air-stable, phosphine-free 8-aminoqunoline (8-AQ) based Mn(I) carbonyl complex as the catalyst for the C(α)-alkylation of oxindoles with alcohols has been developed. The Mn complex [(8-AQ)Mn(CO)3Br] works effectively as a catalyst for α-alkyla...
ArtikelRegioselective Direct C−H Phosphorylation of Benzofulvenesvon Soumyadip Hore et al. · 15.03.2023 The availability of the phosphorylated benzofulvene library is greatly facilitated by the current discovered method of regioselective C-3 phosphorylation of benzofulvene. Through the use of control experiments, the mechanism of the reaction may be e...
ArtikelEmbedding Lanthanide Organic Polyhedra into Mesoporous Silica Nanoparticles for the Photocatalytic Degradation of Organic Dyesvon Xiao‐Shan Lin et al. · 15.03.2023 Herein, we presented the successful encapsulation of Gd8L12 complex into a mesoporous silica matrix utilizing a “ship-in-a-bottle” strategy. The hybrid material Gd8L12⊂MSN is a potential n-type semiconductor and could photocatalyze the degradation o...
ArtikelNickel(II) Complexes of Tripodal Ligands as Catalysts for Fixation of Atmospheric CO2 as Organic Carbonatesvon Sethuraman Muthuramalingam et al. · 15.03.2023 Novel nickel(II)-N4 complexes are reported as highly efficient catalysts for the green conversion of CO2 into five-membered cyclic carbonates with superior selectivity under 1 atm air/CO2 at room temperature. Abstract The fixation of atmospheric C...
ArtikelBoat and Chair Shaped Hexahalogen Synthonsvon P. E. et al. · 15.03.2023 Crystalline evidence of boat and chair shaped cyclic Br6 synthons in sequentially brominated o-xylene derivatives emerging from weak non-electrostatic interactions is reported. Abstract Non-covalent halogen bonding interactions are quintessential ...
ArtikelThe “Nitrogen Effect”: Complexation with Macrocycles Potentiates Fused Heterocycles to Form Halogen Bonds in Competitive Solventsvon Kwaku Twum et al. · 15.03.2023 Fused aromatic N-heterocycle quinoline templates a halogen-bonded ternary assembly with resorcinarene and 1-iodonoonafluorobutane in a highly competitive solvent environment, while phenanthroline templates a dimeric capsule in pure methanol. Abstr...
ArtikelIn Situ Reconstructed Mo‐doped Amorphous FeOOH Boosts the Oxygen Evolution Reactionvon Zhichao Jia et al. · 15.03.2023 We prepared three-dimensional (3D) hollow Mo-doped amorphous FeOOH (Mo-FeOOH) based on the precatalyst MoS2/FeC2O4 via an in situ reconstruction strategy. Mo-FeOOH exhibits promising OER performance. Specifically, it has an overpotential of 285 mV a...
ArtikelEditorialvon Zhicheng Zhang et al. · 15.03.2023 Surface and interface engineering has been considered as a promising strategy to enhance the performance of catalysts towards CO2 reduction. In their editorial to this special collection, guest editors Zhicheng Zhang, Zhen Zhang, Zhenyu Sun, Shaoqi ...
ArtikelFront Cover: From Textile Coloring to Light‐emitting Electrochemical Devices: Upcycling of the Isoviolanthrone Vat Dye (Chem. Asian J. 6/2023)von Tatiana Ghanem et al. · 15.03.2023 Produced at a ton scale for textile industries, vat dyes have a significant environmental impact as they are considered major water contaminants. Hence, as a contribution to the current ecological transition, we demonstrate the valorization/upcyclin...
ArtikelCover Feature: Heptagon/Octagon‐Fused Diporphyrins or Spiro‐Pentagon‐Bridged Dichlorin from p‐Terphenylene‐Bridged Diporphyrin (Chem. Asian J. 6/2023)von Peng Lin et al. · 15.03.2023 The cartoon figure on the cover image is Monkey King, who is a character in the classical Chinese novel “Journey to the West”. He has 72 polymorphic transformations. As shown in the cartoon, he only needs to blow a breath and can create a lot of lit...
ArtikelUltrathin Dendritic Pd–Ag Nanoplates for Efficient and Durable Electrocatalytic Reduction of CO2 to Formatevon Hui-Zi Huang et al. · 20.03.2023CO2 reduction reactions (CO2RR) powered by renewable electricity can directly convert CO2 to hydrocarbons and fix the sustainable but intermittent energy (e.g., sunlight, wind, etc.) in stable and portable chemical fuels. Advanced catalysts boosting ...
ArtikelMultichromophore Integrated Panchromatic AzaBODIPYs: Synthesis, Characterization, and Exploring the Role of AzaBODIPY as an Energy and Electron Relay in Photoinduced Processesvon Boligorla Anjaiah et al. · 18.03.2023Panchromatic azaborondipyrromethenes directly connected with N,N-ditolylaniline (TPA) and naphthalene (Naph) at 1,7- and/or 3,5-positions of the azaBODIPY platform, 1, 2, and 3, were synthesized and the role of the individual chromophore constituents...
ArtikelPt‐based Rare Earth Alloy as Efficient and Robust Electrocatalyst for High‐temperature Proton Exchange Membrane Fuel Cellsvon Jiaqi Lin et al. · 17.03.2023High-temperature proton exchange membrane fuel cells (HT-PEMFCs) are crucial in future energy system. However, the activity and stability of the electrocatalysts are severely restricted by high temperature and phosphoric acid poisoning. Herein, PtCe ...
ArtikelHeparin Induced Dual Mode Luminescence Modulation of Organic Nanoparticles and Efficient Energy Transfervon Rakesh Biswas et al. · 15.03.2023Amphiphilic di-cationic fumaronitrile derivatives with peripheral n-alkyl chains formed organic nanoparticles (NPs) through self-assembly in aqueous media. The NPs exhibited enhanced luminescence in both steady-state and delayed mode in comparison to...
ArtikelEmergence of Non‐photoresponsive Catalytic Techniques for Environmental Remediation and Energy Generationvon Manish et al. · 15.03.2023Catalysis plays an important role in all the major applications and challenges in the environment, including energy generation, environmental purification and wastewater remediation. Although photocatalysts are desirable in addressing energy and envi...
ArtikelThiourea Based Tritopic Halogen Bonding Acceptorsvon Lauri Happonen et al. · 15.03.2023Series of thiourea based tritopic receptor molecules were synthesized to be used as building blocks for halogen-bonded assemblies. Here 16 new receptor molecules were synthesized from two different 2,4,6-trialkyl-1,3,5-tris(bromomethyl)benzene starti...
ArtikelAmbipolar Columnar Self‐assembled Organic Semiconductors based on Heteroatom bay‐Annulated Perylene Bisimidesvon Paresh Kumar et al. · 15.03.2023Highly electron deficient heteroatom (N, S, Se) bay-annulated PBIs exhibiting ordered columnar phase over a wide mesomorphic range including ambient temperature are reported in this manuscript. These compounds with six peripheral n-decyloxy chains ex...
ArtikelElectrochemical Dearomative Spirocyclizationvon Nan Li et al. · 15.03.2023Electrochemical dearomative spirocyclization serves as a green and sustainable approach to convert the flat, two-dimension aromatic feedstock into the value-added three-dimension spirocyclic architectures. This review article highlights the recent ad...
ArtikelA Bipyridine‐Promoted Csp3−Csp3 Coupling of beta‐Chlorophenonesvon Bao Li et al. · 14.03.2023 A novel Csp3−Csp3 coupling reaction of β-chlorophenone with alkanes using 2-(tert-butylperoxy)-2-methylpropane as the oxidant and 2,2′-bipyridine as the catalyst was reported. A variety of β-chloropropiophenones were tolerated, leading to the alkyla...
ArtikelRh(III)‐Catalyzed C−H Annulation of Sulfoxonium Ylides and 1,3‐Diynes: A Rapid Access to Alkynyl‐1‐Naphthol Derivativesvon Sanjeev Kumar et al. · 14.03.2023An effective redox-neutral strategy to synthesize the aryl/alkynyl and alkyl/alkynyl substituted 1-naphthol derivatives has been efficaciously developed by Rh(III)-catalyzed [4+2]-annulation of sulfoxonium ylides and 1,3-diynes with excellent regio- ...
ArtikelpH‐ and Temperature‐responsive Hydrogels Based on Tertiary Amine‐modified Polypeptides for Stimuli‐responsive Drug Deliveryvon Zhiqiang Lin et al. · 13.03.2023 pH- and temperature-responsive monomethoxy poly(ethylene glycol) (mPEG)-polypeptide hydrogels were synthesized using ring-opening polymerization and post-polymerization modification. Aqueous solutions of the mPEG-polypeptides exhibited α-helix-to-β-...
ArtikelHalogen⋯Halogen Interactions: Nature, Directionality and Applicationsvon Binoy K. et al. · 13.03.2023 Halogen⋅⋅⋅halogen interaction is a highly debated topic in supramolecular chemistry. How the concept of this interaction has been developed until date has been discussed from a historical perspective. Its nature, geometry and different groups of tho...
ArtikelPhotoinduced Cerium‐Mediated Decarboxylative Alkylation Cascade Cyclization of N‐arylacrylamides and N‐acryl‐2‐aryl benzimidazolesvon Neha Dagar et al. · 13.03.2023 An operationally simple and efficient photoinduced decarboxylative radical alkylation/cyclization has been developed utilizing inexpensive cerium catalyst and feedstock carboxylic acids as alkyl radical surrogates under aerobic conditions. This cata...
ArtikelNovel Visible‐light‐responsive Photocatalyst Based on Nitrogen‐doped Bulk Oxide YTaO4‐ x N y for Z‐scheme Overall Water Splittingvon Hai Zou et al. · 13.03.2023Nitrogen doping into oxide has been proved to be an effective strategy to extend visible-light utilization of oxides with layered or channeled structure, but it is shortage for the bulk oxides free of layered or channeled structure. Here, we report a...
ArtikelImportance of Adatom on Pure Iron Catalyst Towards Electrocatalytic N2 Reduction Reactionvon Arunendu Das et al. · 13.03.2023Haber-Bosch process using Fe based catalysts is still the predominant technique for ammonia production despite tough reaction conditions and high energy consumption. In the present work, we have investigated iron adatom on the (110) surface of pure i...
ArtikelMechanistic Insights into Enantioselective C(sp3)−H Acylation to Construct α‐Amino Ketones via Photoredox and Ni(II) Dual Catalysis: A DFT Studyvon Ran Liu et al. · 10.03.2023 DFT calculations were carried out to gain a mechanistic insight into the photoredox and Ni dual catalyzed acylation of α-amino C(sp3)−H bonds and reveal the origin of the stereoselectivity of product. Abstract The development of the merger of a Ni...
ArtikelEfficient Cyan Delayed Fluorescence Luminogen as Sensitizing Host for OLEDs with High Efficiencies and Extremely Low Roll‐Offsvon Jianghui Wang et al. · 10.03.2023 Cyan thermally activated delayed fluorescence molecules with aggregation-enhanced emission and horizontal dipole orientation can function as efficient emitter and sensitizing host to improve electroluminescence efficiencies and reduce efficiency rol...
ArtikelAnticancer Screening of Ru(II) Photoredox Catalysts at Single Cell Levelvon Zhongxian Fan et al. · 10.03.2023The rapid efflux of Pt-based chemotherapeutics by cancer cells is one of the major causes of drug resistance in clinically available drugs. Therefore, both the high cellular uptake as well as adequate retention efficiency of an anticancer agent are i...
ArtikelAmino‐Terephthalonitrile‐Based Single Benzene Fluorophores with Large Stokes Shifts and Solvatochromic Behaviorvon Tanya Raghava et al. · 09.03.2023 Single benzene fluorophores (SBFs) containing secondary and or tertiary amines and the terephthalonitrile moiety in direct conjugation with each other across a benzene ring, were synthesized and their emissive character were investigated using theor...
ArtikelConcise Synthesis of Molecular Hyperboloids by Oligomeric Macrocyclization of Octagonal Moleculesvon Koki Ikemoto et al. · 09.03.2023Molecular hyperboloids were designed and synthesized. The synthesis was achieved by development of oligomeric macrocyclization of an octagonal molecule with a saddle shape. The saddle-shaped molecule, i.e., [8]cyclo-meta-phenylene ([8]CMP), was decor...
ArtikelTheoretical Studies of Mutual Effects between 6‐m‐r Hemiketalization and 26‐m‐r Lactonization in Pimaricin Thioesterasevon Chuchu Jiang et al. · 09.03.2023 Cooperation between 6-m-r hemiketalization and 26-m-r macrolactonization is reported for a thioesterase (pimTE) in type-I polyketide synthase. Intriguingly, the R-hemiketal intermediate is not only catalyzed by the D179 residue, but also twists the ...
ArtikelGrowth Reaction of Gold Nanorod in Presence of Mutated Peptides and Amine Modified Single Strand Nucleic Acidvon Jitendra et al. · 08.03.2023Conformation of biomolecules like DNA, peptides and amino acids play vital role during nanoparticle growth. Herein, we have experimentally explored the effect of different noncovalent interaction between 5’-amine modified DNA sequence (NH2-C6H12-5’-A...
ArtikelComputational Strategies for Entropy Modeling in Chemical Processesvon Wook Shin et al. · 08.03.2023Computational simulations of entropy are important in understanding the thermodynamic forces that drive chemical reactions on a molecular scale. In recent years, various algorithms have been developed and applied in conjunction with molecular modelin...
ArtikelMetal‐Ion/Metal Nanoparticle‐Anchored Porous Organic Polymers as Efficient Catalysts for Organic Transformations – A Recent Overviewvon Murugavel Kathiresan · 07.03.2023 This review summarizes the synthetic utility of metal-incorporated porous organic polymer based catalysts for various organic transformations such as C−C as well as C−N coupling reactions, C−H arylation of heteroarenes, hydrogen atom transfer reacti...
ArtikelEnantioselective Synthesis of Bromodifluoromethyl‐containing Oxazolines by Concerted Lewis/Brønsted Base Catalysis with Chiral Bisphosphine Oxidevon Ryo Hirokawa et al. · 07.03.2023 Regio- and enantioselective bromocyclization of difluoroalkenes has been achieved using a chiral proton-bridged bisphosphine oxide complex (POHOP) as a catalyst precursor. Concerted Lewis/Brønsted base catalysis with bisphosphine oxide enabled the e...
ArtikelCarbon Encapsulated NiCo2S4 Nanoparticles with Enhanced Surface Mediated Charge Storage for Superior Ultracapacitor Electrodesvon Vikash Chaturvedi et al. · 07.03.2023 NCS-STFA||SBN-PSC based asymmetric supercapacitor device exhibited an exceptionally superior electrochemical performance with 172 F g−1 at 10 A g−1 input current density and 97% capacity retention after 5000 cycles with a voltage window of 1.6 V. (V...
ArtikelNon‐classical Non‐covalent σ‐Hole Interactions in Protein Structure and Function: Concepts for Potential Protein Engineering Applicationsvon Margaret G. et al. · 07.03.2023 The σ-hole theory describes the anisotropic distribution of electrostatic potential of organic substituents that participate in a broad range of nonclassical noncovalent (ncNC) interactions found in chemistry and biochemistry. This review explores h...
ArtikelElectrochemical and Structural Investigation of ReO3von Jian Peng et al. · 06.03.2023The structural evolution with alkali ion insertion, and the subsequent thermal expansion properties of the alkali-ion inserted ReO3 electrodes are shown by employing in situ and ex situ synchrotron X-ray diffraction (XRD). During Na and K insertion, ...
ArtikelRecent Advancements on Metal‐Free Vicinal Diamination of Alkenes: Synthetic Strategies and Mechanistic Insightsvon Ravinder Kumar et al. · 04.03.2023The oxidative aminative vicinal difunctionalization of alkenes or related chemical feedstocks has emerged as sustainable and multipurpose strategies that can efficiently construct two C-N bonds, and simultaneously prepare the synthetically fascinatin...
ArtikelLate‐Stage C(sp2)–H Arylation of Artemisinic Acid and Arteannuin B: Effect of Olefin Migration Towards Synthesis of C‐13 Arylated Artemisinin Derivativesvon Sayantan Paul et al. · 03.03.2023In recent years C–H bond functionalization has emerged as a pivotal tool for late-stage functionalization of complex natural products for synthesis of potent biologically active derivatives. Artemisinin and its C-12 functionalized semi-synthetic deri...
ArtikelPost‐synthetic Chemical Fixation of Fe2+ in MOF to Prepare Fe2N‐Embedded N‐Doped Graphene Nanoribbons for Superior Oxygen Reduction Reactionvon Wenli Xu et al. · 03.03.2023 A controllable chemical fixation strategy that enables the simultaneous optimization in both of local and external structure of the Fe−N−C catalyst was reported. Abstract The construction of efficient non-precious metal electrocatalysts for oxygen...
ArtikelHalogen Bond‐Involving Supramolecular Assembly Utilizing Carbon as a Nucleophilic Partner of I⋅⋅⋅C Non‐covalent Interactionvon Andrey S. et al. · 03.03.2023 1D-Supramolecular assembly of 180°-orienting bifunctional isocyanides functioning as C-based HaB acceptors and 180°-orienting homoditopic HaB donors. I⋅⋅⋅C halogen bond was recognized as the strongest structure-directing force. Abstract Co-crystal...
ArtikelHigh‐loading LiBH4 Confined in Structurally Tunable Ni Catalyst‐decorated Porous Carbon Scaffold for Fast Hydrogen Desorptionvon Yusang Guo et al. · 03.03.2023 Improved synergetic effect: A porous carbon scaffold decorated with Ni nanocatalyst was synthesised and optimised by etching the calcinated product of Ni metal-organic frameworks. The confined system with a high LiBH4 loading exhibits an enhanced de...
ArtikelUniversally Exhaustive Generation of Molecular Structures and Prediction of Their Electronic States Using Machine Learning for N‐type Organic Transistor Materialsvon Akira Ohno et al. · 03.03.2023 An exhaustive molecular generator and electron affinity prediction is proposed based on machine learning for developing n-type organic semiconductors. More than 4.8 million molecules are generated, and 727 thousand molecules of electron affinities a...
ArtikelLanthanide Single‐molecule Magnets: Synthetic Strategy, Structures, Properties and Recent Advancesvon Jin Wang et al. · 02.03.2023 This review summarizes the design strategies, the metal skeleton types, correlations between structures and magnetic behavior as well as the recent advances of Ln single-molecule magnets (SMMs). Abstract Single-molecule magnets (SMMs) show wide po...
ArtikelFew‐layer Graphene Lithiophilic and Sodiophilic Diffusion Layer on Porous Stainless Steel as Lithium and Sodium Metal Anodesvon Apurva Patrike et al. · 02.03.2023 3D free-standing and binder-free few-layer graphene deposited porous stainless steel has been synthesized through the CVD technique and used as a functional scaffold for Li and Na metal anodes. The efficient deposition of Li and Na over 1000 cycles ...
ArtikelImproving the Coke Resistance of Ni‐Ceria Catalysts for Partial Oxidation of Methane to Syngas: Experimental and Computational Studyvon Deepak Khurana et al. · 02.03.2023 A combined experimental and computational study to improve the stability of Ni/CeO2 catalysts is reported. Ni/CeO2 and noble metal doped Ni−M/CeO2 catalysts were compared on the basis of their activity, selectivity, and stability for CPOM reaction. ...
ArtikelN‐Trifluoromethyl Succinimide as a New Reagent for Direct C−H Trifluoromethylation of Free Anilinesvon Hao Liu et al. · 02.03.2023 We designed and prepared a trifluoromethylation reagent, N-trifluoromethylsuccinimide (NTFS), and use it for the trifluoromethylation of aromatic amines without metal. This protocol exhibits broad substrate scope and wide functional group compatibil...
ArtikelAmine‐catalyzed Synthesis of Fluorine‐containing Polymers through Halogen Bondingvon Tadashi Kanbara et al. · 02.03.2023 Based on the halogen bonding between perfluoroalkyl iodides and amines, fluorine-containing polymers were synthesized by visible light induced sequential and chain polymerization. Since the both polymerizations proceeded under the same reaction cond...
ArtikelInverse Electron‐Demanding Diels–Alder Reactions in the Chemical Synthesis of Prenylated Indole Alkaloids Containing a Bicycle[2.2.2]diazaoctane Moiety: A Theoretical Studyvon Wenqiang Xu et al. · 01.03.2023 Many chemical syntheses of bicyclic structures by Diels–Alder reactions have been reported, but the reaction mechanism remains underexplored. Here, DFT calculations on both acid- and base-promoted Diels–Alder reactions in these syntheses were carrie...
ArtikelElectrochemically Enabled Direct C3‐Formylation of Imidazopyridines with Me3N as a Carbonyl Sourcevon Zhicong Tang et al. · 01.03.2023 A metal- and oxidant-free electrochemical methodology for C-3 formylation of imidazopyridines using trimethylamine as a one-carbon source has been established. The strategy demonstrated good functional-group tolerance and could be scaled up to gram ...
ArtikelChiral Self‐Sorting in Pd6L12 Metal‐Organic Cagesvon Sandipan Ghorai et al. · 01.03.2023 An unprecedented coordination-driven diastereoselective self-assembly, to form D 3-symmetric heterochiral Pd6L12 cages, against a possible one homochiral and 69 heterochiral pairs, and 5 meso isomers, through chiral social self-sorting, has been dem...
ArtikelOrganophotoredox‐mediated Formal [3+2]‐Cycloaddition of 2H‐Azirines with Aryldiazonium Salts: Direct Access to Trisubstituted 1,2,4‐Triazolesvon Poornima Mishra et al. · 28.02.2023 The present work documents an organophotoredox-mediated formal [3+2]-cycloaddition of 2H-azirines with aryl diazonium tetrafluoroborate salts to yield 1,3,5-trisubstituted 1,2,4-triazoles. The reaction furnishes a regioisomeric mixture of 1,2,4-tria...
ArtikelRed‐emissive Dual‐state Fluorogenic Probe for Wash‐free Imaging of Lipid Droplets in Living Cells and Fatty Liver Tissuesvon Hui Wang et al. · 27.02.2023 L1 is a dual-state emissive (DSE) molecule showing strong fluorescence in both dilute solutions and the aggregated state. L1 as a DSE probe can specifically image liquid droplets (LDs) in cells and tissues with high brightness at a wide range of con...
ArtikelBase‐catalyzed Effective C2‐Amidation of Azolium Salts Using Isocyanates under Mild Conditionsvon Somnath Bauri et al. · 27.02.2023 An efficient base-catalyzed hydroarylation of isocyanates with azolium salts was developed, which provided facile access to a diverse family of C2-amidated azolium salts under mild conditions. Abstract An unprecedented base-catalyzed hydroarylatio...
ArtikelConstructing Defective Heterojunctions of BiOBr Nanosheets and Hollow NH2‐functionalized MOFs for Visible‐light‐driven CO2 Reduction with Nearly 100% CO Selectivity by Pure H2Ovon Menghan Yang et al. · 24.02.2023 BiOBr nanoplates were successfully attached to hollow NH2-MIL-125(Ti) surface to form Z-format defect heterojunction. In pure water, the optimized oxygen-containing vacancy catalyst reduced CO2 to CO with near 100% selective high-efficiency visible ...
ArtikelLow‐Molecular‐Weight J‐Aggregate Solid Red Emitter for Selective and Quantitative Detection of Cyanidevon Sachin D. et al. · 24.02.2023 A low-molecular-weight J-aggregate solid red emitter, sensor 1, with intramolecular charge transfer (ICT) characteristics was synthesized for the selective and quantitative detection of cyanide based on an ICT on-off switching mechanism. Abstract ...
Artikel2‐Hydroxypropyl Group Linked Derivatives of Indole Azoles as Potential Multifunctional Antibacterial Candidates for Effectively Inhibiting the Activity of MRSA and Responding Inflammatory Factorsvon Yuanyuan Hu et al. · 24.02.2023 A novel class of 2-hydroxypropyl group-linked derivatives of indole azoles was developed as potential antibacterial agents. In particular, compound 4 a showed a remarkable ability to inhibit MRSA (MIC=6 μM) and was also able to respond to inflammato...
ArtikelExploring Spectrum‐based Molecular Descriptors for Reaction Performance Predictionvon Miao‐Jiong Tang et al. · 24.02.2023 Spectroscopy, as one of the most widely applied characterization techniques, contains a wealth of chemical information, yet its application in chemical machine learning is still limited. This work reports the OCR processing of spectrum images to mac...
ArtikelSynthesis and Optoelectronic Features of Rhodamine‐Triazole Dyads as Metallochromic Probes for Copper‐Selective Chemosensingvon Murugan Vadivelu et al. · 24.02.2023 Organic π-chromophores containing rhodamine and triazole skeletons were synthesized using mechano-click chemistry as key step. Optical, redox, aggregate behaviour, electronic structure and other molecular properties of the synthesized dyads were inv...
ArtikelCarboxylate Ligand‐supported Agn (n=21 and 24) Alkynyl Clusters Induced by Single/Double Carbonate Ionsvon Li Li et al. · 24.02.2023 Capturing the CO3 2− templates converted from atmospheric CO2 into the [ t BuC≡CAg] n system under the stimulation of carboxylate ligand CF3COO−/PhCOO−, two functionalized high-nuclear silver alkynyl clusters [(CO3 2−)@Ag21( t BuC≡C)...
ArtikelComputational Study of Mechanisms and Tether Length Effects of Rh‐Catalyzed [3+2] and [3+2+1] Reactions of Ene/Yne‐Vinylcyclopropanesvon Guan‐Yu Zhang et al. · 22.02.2023 The mechanisms of [3+2] and [3+2+1] reactions using ene/yne-vinylcyclopropanes have been studied computationally, finding that the length of tether affects the ene/yne insertion into Rh−C bond of the formed rhodacycles (from the cyclopropane cleavag...
ArtikelFully Bio‐based Poly(ketal‐ester)s by Ring‐opening Polymerization of a Bicylcic Lactone from Glycerol and Levulinic Acidvon Tong Zhou et al. · 21.02.2023 A fully renewable bio-based bicyclic lactone (TOD) was prepared and its TBD-ROP afforded high molar mass amorphous PTOD that could be selectively degraded under acidic or basic conditions. In addition, under acidic conditions, the copolymers of TOD ...
ArtikelCarboxylic‐Phosphoric Anhydrides as Direct Electrophiles for Decarbonylative Hirao Cross‐Coupling of Carboxylic Acids: DFT Investigation of Mechanistic Pathwayvon Chengwei Liu et al. · 20.02.2023 We report a DFT study of the mechanism of decarbonylative Hirao cross-coupling of carboxylic-phosphoric anhydrides (acyl phosphates) to afford aryl phosphonates. Direct dehydrogenative decarbonylative phosphorylation of benzoic acid can be performed...
ArtikelBenzylic Alcohol Oxidation using Copper Oxide/ZincOxide/Zirconia Nanocomposite Catalystsvon Mohamed Mokhtar et al. · 17.02.2023 CuO/ZnO/ZrO2 catalysts were tested for the oxidation reaction for benzylic alcohol derivatives. The catalysts showed superior catalytic efficiency under neat reaction condition. Abstract Herein, we have developed a nanocomposite catalyst for organ...
ArtikelMechanistic Insights into the Synergistic Effect of Palladium(0) and Copper(I) on the Selective Transformation of Isocyanate to Indolevon Cai‐Yun Ding et al. · 17.02.2023 DFT calculations were performed to investigate the synergistic Pd(0)/Cu(I) catalyzed selective allylated indole formation. The competing reaction yielding N-allyl carbamate was also considered. A critical role of Cu(I) is to act as a Lewis acid in t...
ArtikelCatalytic Site‐, Diastereo‐, and Enantioselective Cascade Iodocyclization of 2‐Geranylarenolsvon Yasutaka Tsuji et al. · 14.02.2023 A nucleophilic chiral amidophosphate-halo-Lewis acid cooperative catalysis has been developed for the site-, diastereo-, and enantioselective iodocyclization of 2-geranylarenols with molecular iodine to give the corresponding iodo-containing polycyc...
ArtikelPhotoinduced Synthesis of Bisphosphinated Quinoxalines via Radical Cyclization of o‐Diisocyanoarenes with Diphosphinesvon Yuki Yamamoto et al. · 03.02.2023 A photoinduced synthesis of bisphosphinated quinoxalines was successfully achieved by using o-diisocyanoarenes with diphosphines. The novel reaction proceeds with good product selectivity, and can be conducted with easy operation, broad scope, and e...
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