Electrochemical cascade migratory <i>versus ortho</i>-cyclization of 2-alkynylbenzenesulfonamides

Screening seven-electron boron-centered radicals for dinitrogen activation

p-Aromaticity Dominating in a Saturated Ring: Neutral Aromatic Silicon Analogues of Cyclobutane-1,3-diyls

Harmonic Oscillator Model of Aromaticity for Organometallics Containing the Os-C Bond

Adaptive Aromaticity in 18e Metallapentalenes

Probing Near-infrared Absorbance of <i>E</i> and <i>Z</i> Diazene Isomers via Antiaromaticity

Adaptive σ aromaticity in the rhenacyclopropene rings

FP(<i>μ</i>-N)₂S: A Sulfur-Pnictogen Four-Membered Ring with 6π Electrons

Mechanism of metalated pyrrole-singlet oxygen chemiluminescent reaction

Exploiting heterocycle aromaticity to fabricate new hot exciton materials

Dynamic Evolving Exothermicity Steers Ultrafast Formation of a Correlated Triplet Pair State

Synthesis and Reactivity of an Anti-van?t Hoff/Le Bel Compound with a Planar Tetracoordinate Silicon(II) Atom

Synthesis and characterization of Craig-type antiaromatic species with [4n+2] π electrons

A Triplet Iron Carbyne Complex

An unprecedented route to achieve persistent 1<i>H</i>-azirine

Probing the mechanism of adaptive aromaticity in metallapyridiniums

Direct Conversion of N2 and O2 to Nitric Oxide at Room Temperature Initiated by Double Aromaticity in the Y2BO+Cation

Predicting Small Molecule Activation including Catalytic Hydrogenation of Dinitrogen Promoted by a Dual Lewis Acid

Adaptive aromaticity in osmapentalene and osmapyridinium complexes with carbone ligands

Chiral polycyclic benzosultams from photocatalytic diastereo- and enantioselective benzylic C-H functionalization

Probing the Hyperconjugative Aromaticity of Cyclopentadiene and Pyrroliums Containing Group 7 Transition Metal Substituents

A conjugated diosma-octacyclic complex and its mixed-valence singly reduced state

An Isolable 2,5-Disila-3,4-Diphosphapyrrole and a Conjugated Si=P-Si=P-Si=N Chain Through Degradation of White Phosphorus with a N,N-Bis(Silylenyl)Aniline

Mechanistic Insight into the Ni-Catalyzed Kumada Cross-Coupling: Alkylmagnesium Halide Promotes C-F Bond Activation and Electron-Deficient Metal Center Slows Down beta-H Elimination

A bis(silylene)pyridine pincer ligand can stabilize mononuclear manganese(0) complexes: facile access to isolable analogues of the elusive d(7)-Mn(CO)(5) radical

Predicting Dinitrogen Activation by Carborane-Based Frustrated Lewis Pairs

Stabilizing a 20-Electron Metallaazulyne by Aromaticity

Editorial: A Genetic Perspective on Asian Populations

Asymmetric Construction of alpha,gamma-Disubstituted alpha,beta-Butenolides Directly from Allylic Ynoates Using a Chiral Bifunctional Phosphine Ligand Enables Cooperative Au Catalysis

Electrochemical Migratory Cyclization of N-Acylsulfonamides

Unexpected White Phosphorus (P-4) Activation Modes with Silylene-Substituted o-Carboranes and Access to an Isolable 1,3-Diphospha-2,4-disilabutadiene

Predicting dinitrogen activation by borenium and borinium cations

[(CrGe9)Cr-2(CO)(13)](4-): A disubstituted case of ten-vertex closo cluster with spherical aromaticity

Structure, bonding and adaptive aromaticity in rhenium-oxo complexes: a DFT study

Understanding reaction mechanisms of metal-free dinitrogen activation by methyleneboranes

Predicting Dinitrogen Activation by Five-Electron Boron-Centered Radicals

Antiaromaticity-promoted radical anion stability in alpha-vinyl heterocyclics

Computational predictions of adaptive aromaticity for the design of singlet fission materials

Phosphine-Stabilized Germylidenylpnictinidenes as SyntheticEquivalents of Heavier Nitrile and Isocyanide in CycloadditionReactions with Alkynes br

Theoretical Study on Reaction Mechanisms of Dinitrogen Activation and Coupling by Carbene-Stabilized Borylenes in Comparison with Intramolecular C-H Bond Activation

Probing a General Strategy to Break the C-C Bond of Benzene by a Cyclic (Alkyl)(Amino)Aluminyl Anion

Helical Trilayer Nanographenes with Tunable Interlayer Overlaps

Catalytic Mechanisms of Transfer Hydrogenation of Azobenzene with Ammonia Borane by Pincer Bismuth Complex: Crucial Role of C=N Functional Group on the Pincer Ligand

Aromaticity-promoted CS2 activation by heterocycle-bridged P/N-FLPs: a comparative DFT study with CO2 capture

A Conjugated Figure-of-Eight Oligoparaphenylene Nanohoop with Adaptive Cavities Derived from Cyclooctatetrathiophene Core

Adaptive aromaticity in 16-valence-electron metallazapentalenes

Osmapentalyne and osmapentalene complexes containing boron monofluoride ligands: structure, bonding and adaptive aromaticity

Probing the origin of ambiphilic reactivity in osmapentalyne complexes: Interplay of ring strain, aromaticity, and phosphonium substituent

Research Progress of Nickel-Based Metal-Organic Frameworks and Their Derivatives for Oxygen Evolution Catalysis

Tuning the hyperconjugative aromaticity in Au(iii)-substituted indoliums

Isolation of a carbon nanohoop with Mobius topology

New Types of Ge-2 and Ge-4 Assemblies Stabilized by a Carbanionic Dicarborandiyl-Silylene Ligand

[Bi6Mo3(CO)(9)](4-): a multiple local sigma-aromatic cluster containing a distorted Bi-6 triangular prism

Probing the origin of the stereoselectivity and enantioselectivity of cobalt-catalyzed [2+2] cyclization of ethylene and enynes

Carbon-halogen bond activation by a structurally constrained phosphorus(III) platform

Probing hyperconjugative aromaticity in 2H-pyrrolium and cyclopentadiene containing group 9 transition metal substituents: bridged carbonyl ligands can enhance aromaticity

Aromaticity Survival in Hydrofullerenes: The Case of C66H4 with Its pi-Aromatic Circuits

Rational design of the nickel-borane complex for efficient hydrogenation of styrene

Adaptive Aromaticity in Metallasilapentalynes

Systematic Design of a Frustrated Lewis Pair Containing Methyleneborane and Carbene for Dinitrogen Activation

Predicting Dinitrogen Activation via Transition-Metal-Involved [4+2] Cycloaddition Reaction

Nucleophilic Reactions of Osmanaphthalynes with PMe3 and H2O

Predicting Dinitrogen Coupling with a Series of Small Molecules Catalyzed by a Pincer Complex

Releasing Antiaromaticity in Metal-Bridgehead Naphthalene

Antiaromaticity-Promoted Radical Stability in alpha-Methyl Heterocyclics

Achieving a Favorable Activation of the C-F Bond over the C-H Bond in Five- and Six-Membered Ring Complexes by a Coordination and Aromaticity Dually Driven Strategy

A Genuine Stannylone with a Monoatomic Two-Coordinate Tin(0) Atom Supported by a Bis(silylene) Ligand

Probing the tautomerization of disilenes and disilabenzenes with their isomeric silylenes: significant substituent, aromaticity and base effects

Open questions on aromaticity in organometallics

Chemoselectivity for B-O and B-H Bond Cleavage by Pincer-Type Phosphorus Compounds: Theoretical and Experimental Studies

Probing the Origin of Adaptive Aromaticity in 16-Valence-Electron Metallapentalenes

Tuning the Properties of Corannulene-Based Polycyclic Aromatic Hydrocarbons by Varying the Fusing Positions of Corannulene

Screening Borane Species for Dinitrogen Activation

Singlet Fission in a Pyrrole-Fused Cross-Conjugated Skeleton with Adaptive Aromaticity

Reaction Mechanisms on [3+2] Cycloaddition of Azides with Metal Carbyne Complexes: Significant Effects of Aromaticity, Substituent, and Metal Center

Redox Neutral Radical-Relay Cobalt Catalysis toward C-H Fluorination and Amination

Are Hetero-metallapentalenes Aromatic or Not? A DFT Investigation

Kinetic Control in the Synthesis of a Mobius Tris((ethynyl)[5]helicene) Macrocycle Using Alkyne Metathesis

Dinitrogen Activation by Tricoordinated Boron Species: A Systematic Design

Adaptive aromaticity in ruthenacycles

Formation of Iridium(III) Complexes via Selective Activation of the C-H and N-H Bonds of a Dipyridylpyrrole Ligand

Probing the Aromaticity and Stability of Metallatricycles by DFT Calculations: Toward Clar Structure in Organometallic Chemistry

Adaptive σ Aromaticity and Triplet Ground State in Tetraatomic Boron Species

Achieving Adaptive Aromaticity in Cyclo[10]carbon by Screening Cyclo[n]carbon (n=8-24)

Access to tetracyclic aromatics with bridgehead metals via metalla-click reactions

Antiaromaticity-Promoted Activation of Dihydrogen with Borole Fused Cyclooctatetraene Frustrated Lewis Pairs: A Density Functional Theory Study

Probing the Origin of Adaptive Aromaticity in 16-Valence-Electron Metallapentalenes

Adaptive sigma-Aromaticity in an Unsaturated Three-Membered Ring

Facile Dinitrogen and Dioxygen Cleavage by a Uranium(III) Complex: Cooperativity Between the Non-Innocent Ligand and the Uranium Center

Are Hetero-metallapentalenes Aromatic or Not? A DFT Investigation

Reaction mechanisms of iron(iii) catalyzed carbonyl-olefin metatheses in 2,5- And 3,5-hexadienals: Significant substituent and aromaticity effects

Hyperconjugative aromaticity and protodeauration reactivity of polyaurated indoliums

Isotopic Oxygen Exchange between CeO2 and O-2: A Heteroexchange Mechanism

Reaction Mechanisms on Unusual 1,2-Migrations of N-Heterocyclic Carbene-Ligated Transition Metal Complexes

Cu-Catalyzed Aromatic Metamorphosis of 3-Aminoindazoles

Bowl Inversion in an Exo-type Supramolecule in the Solid State

3-Aminoindole Synthesis from 2-Nitrochalcones and Ammonia or Primary Amines

Unconventional Aromaticity in Organometallics: The Power of Transition Metals

Dual Aromaticity in Both the T-0 and S-1 States: Osmapyridinium with Phosphonium Substituents

Probing Hyperconjugative Aromaticity of Monosubstituted Cyclopentadienes

Rational Design of a Carbon-Boron Frustrated Lewis Pair for Metal-free Dinitrogen Activation

Bonded to Carbon or Nitrogen? This is a Question on the Regioselectivity in Hyperconjugative Aromaticity

Aromaticity-promoted C?F Bond Activation in Rhodium Complex: A Facile Tautomerization

Probing Reaction Mechanism of [1,5]-Migration in Pyrrolium and Pyrrole Derivatives: Activation of a Stronger Bond in Electropositive Groups Becomes Easier

Reaction Mechanisms on Unusual 1,2-Migrations of N-Heterocyclic Carbene-Ligated Transition Metal Complexes

An Unprecedented Ga/P Frustrated Lewis Pair: Synthesis, Characterization, and Reactivity

Predicting an Antiaromatic Benzene Ring in the Ground State Caused by Hyperconjugation

Aromaticity-promoted CO2 Capture by P/N-Based Frustrated Lewis Pairs: A Theoretical Study

Nickel Complexes with Non-innocent Ligands as Highly Active Electrocatalysts for Hydrogen Evolution

Probing the Strongest Aromatic Cyclopentadiene Ring by Hyperconjugation

An isolable catenane consisting of two Mobius conjugated nanohoops

Probing the Most Aromatic and Antiaromatic Pyrrolium Rings by Maximizing Hyperconjugation and Push–Pull Effect

Predicting an unconventional facile route to metallaanthracenes

Rational Design and Synthesis of Unsaturated Se-Containing Osmacycles with σ-Aromaticity

Recent progress in the chemistry of lanthanide-ligand multiple bonds

Isolation of an Eleven-Atom Polydentate Carbon-Chain Chelate Obtained by Cycloaddition of a Cyclic Osmium Carbyne with an Alkyne

Direct energetic evaluation of aromaticity by cleaving the rings of cyclic compounds

σ-Aromaticity in a Fully Unsaturated Ring

To Be Bridgehead or Not to Be? This is a Question of Metallabicycles on the Interplay between Aromaticity and Ring Strain

Multiyne chains chelating osmium via three metal-carbon sigma bonds

Craig-Type M?bius Aromaticity and Antiaromaticity in Dimetalla[10]annulenes: A Metal-Induced Yin-and-Yang Pair

Catalytic hydroboration of aldehydes, ketones, alkynes and alkenes initiated by NaOH

A theoretical study on the mechanism of ruthenium(II)-catalyzed phosphoryl-directed ortho-selective C-H bond activations: the phosphoryl hydroxy group triggered Ru(II)/Ru(0) catalytic cycle

Synthesis and Characterization of a Metallacyclic Framework with Three Fused Five-membered Rings

Microsolvation effects on the reactivity of oxy-nucleophiles: the case of gas-phase S(N)2 reactions of YO-(CH3OH)(n=1,2) towards CH3Cl

Synthesis and Characterization of Osmium Polycyclic Aromatic Complexes via Nucleophilic Reactions of Osmapentalyne

Probing a General Rule towards Thermodynamic Stabilities of Mono BN-doped Lower Polyenes

Metallapentalenofurans and Lactone-Fused Metallapentalynes

Rational Design and Synthesis of Unsaturated Se-Containing Osmacycles with σ-Aromaticity

Mechanism of Nickel-Catalyzed Selective C-N Bond Activation in Suzuki-Miyaura Cross-Coupling of Amides: A Theoretical Investigation

Probing the Origin of Challenge of Realizing Metallaphosphabenzenes: Unfavorable 1,2-Migration in Metallapyridines Becomes Feasible in Metallaphosphabenzenes

Isolation of a Heavier Cyclobutadiene Analogue: 2,4-Digerma-1,3-diphosphacyclobutadiene

Synthesis of tetra- and octa-aurated heteroaryl complexes towards probing aromatic indoliums

Comprehensive Comparison Between the Gas-phase S(N)2 Reactions at Carbon and at Nitrogen

Synthesis of digermylene-stabilized linear tetraboronate and boroxine

Mechanism, catalysis and predictions of 1,3,2-diazaphospholenes: theoretical insight into highly polarized P-X bonds

Main group metal-ligand cooperation of N-heterocyclic germylene: an efficient catalyst for hydroboration of carbonyl compounds

Unexpected higher stabilisation of two classical antiaromatic frameworks with a ruthenium fragment compared to the osmium counterpart: origin probed by DFT calculations

Synthesis of aromatic ruthenabenzothiophenes via C-H activation of thiophenes

The Clar Structure in Inorganic BN Analogues of Polybenzenoid Hydrocarbons: Does it Exist or Not?

sigma Aromaticity Dominates in the Unsaturated Three-Membered Ring of Cyclopropametallapentalenes from Groups 7-9: A DFT Study

Stability, Reactivity, Selectivity, Catalysis, and Predictions of 1,3,2,5-Diazadiborinine: Computational Insight into a Boron-Boron Frustrated Lewis Pair

Stabilizing two classical antiaromatic frameworks: Demonstration of photoacoustic imaging and the photothermal effect in metalla-aromatics

Reactivity of Germylene toward Phosphorus-Containing Compounds: Nucleophilic Addition and Tautomerism

Probing the reactivity of microhydrated α-nucleophile in the anionic gas-phase SN2 reaction

Unexpected 1,2-migration in metallasilabenzenes: Theoretical evidence for reluctance of silicon to Participate in Π bonding

Five-Membered Cyclic Metal Carbyne: Synthesis of Osmapentalynes by the Reactions of Osmapentalene with Allene, Alkyne, and Alkene

Triplet State Aromaticity: NICS Criterion, Hyperconjugation, and Charge Effects

σ-Aromaticity in an unsaturated ring: Osmapentalene derivatives containing a metallacyclopropene unit

Why does activation of the weaker C=S bond in CS2 by P/N-based frustrated lewis pairs require more energy than that of the C=O bond in CO2? A DFT study

Finite volume Hermite WENO schemes for solving the Hamilton-Jacobi equations II: Unstructured meshes

Theoretical study on the interconversion of silabenzenes and their monocyclic non-aromatic isomers via the [1,3]-substituent shift: Interplay of aromaticity and Bent's rule

Interconversion between ruthenacyclohexadiene and ruthenabenzene: A combined experimental and theoretical study

Mechanism, Reactivity, and Selectivity in Rh(III)-Catalyzed Phosphoryl-Directed Oxidative C-H Activation/Cyclization: A DFT Study

A Metal-Bridged Tricyclic Aromatic System: Synthesis of Osmium Polycyclic Aromatic Complexes

Concerted or Stepwise Mechanism? New Insight into the Water-Mediated Neutral Hydrolysis of Carbonyl Sulfide

Unconventional Facile Way to Metallanaphthalenes from Metal Indenyl Complexes Predicted by DFT Calculations: Origin of Their Different Thermodynamics and Tuning Their Kinetics by Substituents

G2(+)(M) Study on N-Alkylamino Cation Affinities of Neutral Main-Group Element Hydrides: Trends Across the Periodic Table

Theoretical Study on the Stability and Aromaticity of Metallasilapentalynes

In Search of Flexible Molecular Wires with Near Conformer-Independent Conjugation and Conductance: A Computational Study

Computations Offer an Unconventional Route to Metallaphosphabenzene from a Half-Phosphametallocene

Planar Mobius aromatic pentalenes incorporating 16 and 18 valence electron osmiums

Double role of the hydroxy group of phosphoryl in palladium(II)-catalyzed ortho -olefination: A combined experimental and theoretical investigation

Theoretical study on the stability of osmasilabenzynes

Mechanistic insight into the copper-catalyzed phosphorylation of terminal alkynes: A combined theoretical and experimental study

The phosphaethynolate anion reacts with unsaturated bonds: DFT investigations into [2+2], [3+2] and [4+2] cycloadditions

Pd-catalyzed highly regio-, diastereo-, and enantioselective allylic alkylation of alpha-fluorophosphonates

Synthesis of five-membered osmacycloallenes and conversion into six-membered osmacycloallenes

Mechanistic insight into the CO2 capture by amidophosphoranes: Interplay of the ring strain and the trans influence determines the reactivity of the frustrated lewis pairs

Interconversion of metallanaphthalynes and indenylidene complexes: A DFT prediction

Mechanistic insight into the nickel-catalyzed cross-coupling of aryl phosphates with arylboronic acids: Potassium phosphate is not a spectator base but is involved in the transmetalation step in the Suzuki-Miyaura reaction

Facile eta(5)-eta(1) Ring Slippage of the Cycloolefin Ligands in Osmocene and Bis(eta(5)-indenyl)ruthenium(II)

Aromaticity effects on the profiles of the lowest triplet-state potential-energy surfaces for rotation about the C=C bonds of olefins with five-membered ring substituents: An example of the impact of Baird's rule

Evaluation of Triplet Aromaticity by the Isomerization Stabilization Energy

Baird's rule on excited state (anti)aromaticity as a tool for rationalization of photophysical and photochemical properties and processes

Stabilization of anti-aromatic and strained five-membered rings with a transition metal

One-Pot Synthesis of Pyrazoles through a Four-Step Cascade Sequence

Conversions of osmabenzyne and isoosmabenzene

Silicon-containing formal 4-electron four-membered ring systems: Antiaromatic, aromatic, or nonaromatic?

Significant effect of spin flip on the oxygen atom transfer reaction from (oxo)manganese(v) corroles to thioanisole: insights from density functional calculations

Fragmentation of pentacoordinate spirobicyclic aminoacylphosphoranes (P-AAs) by electrospray ionization tandem mass spectrometry concerning P-O and P-N bond cleavage

Ni(II)/Zn Catalyzed Reductive Coupling of Aryl Halides with Diphenylphosphine Oxide in Water

Interpolation of Atomically Thin Hexagonal Boron Nitride and Graphene: Electronic Structure and Thermodynamic Stability in Terms of All-Carbon Conjugated Paths and Aromatic Hexagons

An Isotope (O-18, N-15, and H-2) Technique to Investigate the Metal Ion Interactions Between the Phosphoryl Group and Amino Acid Side Chains by Electrospray Ionization Mass Spectrometry

Stable Iso-osmabenzenes from a Formal 3+3 Cycloaddition Reaction of Metal Vinylidene with Alkynols

Theoretical study on reactions of O-3(+) and N-2: novel routes to dinitrogen bond activation