Charge-shift bonding and its manifestations in chemistry.

No abstract is available for this paper.

• Publication year

  2009

• Venue

  Nature Chemistry

• Publication date

  2009-08-24

• Fields of study

  Medicine, Chemistry

• Identifiers
  DOI 10.1038/nchem.327PMID 21378912
• External record

  Open on Semantic Scholar

• Source metadata

  Semantic Scholar, PubMed

• No claims are published for this paper.

• No concepts are published for this paper.

• First half-reaction mechanism of nitric oxide synthase: the role of proton and oxygen coupled electron transfer in the reaction by quantum mechanics/molecular mechanics.

  2009cited by this paper
• The inverted bond in [1.1.1]propellane is a charge-shift bond.

  2009cited by this paper
• The Inverted Bond in [1.1.1]Propellane is a Charge-Shift Bond

  2009cited by this paper
• Topology of electron charge density for chemical bonds from valence bond theory: a probe of bonding types.

  2009cited by this paper
• Hypercoordinate silicon complexes based on hydrazide ligands. A remarkably flexible molecular system.

  2009cited by this paper
• A predicted organometallic series following a 32-electron principle: An@C28 (An = Th, Pa+, U2+, Pu4+).

  2009cited by this paper
• Heterolytic bond dissociation in water: why is it so easy for C4H9Cl but not for C3H9SiCl?

  2008cited by this paper
• A Cryptand-Encapsulated Germanium(II) Dication

  2008cited by this paper
• The chemical imagination at work in very tight places.

  2007cited by this paper
• Why does electron sharing lead to covalent bonding? A variational analysis

  2007cited by this paper
• Why does electron sharing lead to covalent bonding? A variational analysis

  2007cited by this paper
• The physical origin of large covalent-ionic resonance energies in some two-electron bonds.

  2007cited by this paper
• New insights on the bridge carbon–carbon bond in propellanes: A theoretical study based on the analysis of the electron localization function

  2007cited by this paper
• Stable pentacoordinate carbocations: structure and bonding.

  2007cited by this paper
• Kohn-Sham Density Functional Theory: Predicting and Understanding Chemistry

  2007cited by this paper
• How can a carbon atom be covalently bound to five ligands? The case of Si2(CH3)7+.

  2007cited by this paper
• Barriers of hydrogen abstraction vs halogen exchange: an experimental manifestation of charge-shift bonding.

  2006cited by this paper
• Hydrogen- and fluorine-bridged disilyl cations and their use in catalytic C-F activation.

  2006cited by this paper
• Orbital overlap and chemical bonding.

  2006cited by this paper
• Electron density and bonding at inverted carbon atoms: an experimental study of a [1.1.1]propellane derivative.

  2005cited by this paper
• Charge densities come of age.

  2005cited by this paper
• Charge-shift bonding--a class of electron-pair bonds that emerges from valence bond theory and is supported by the electron localization function approach.

  2005cited by this paper
• On the Accuracy of Theoretically and Experimentally Determined Electron Densities of Polar Bonds

  2004cited by this paper
• The Spin-Pair Compositions as Local Indicators of the Nature of the Bonding

  2003cited by this paper
• Atomic properties of N(2)O(4) based on its experimental charge density.

  2002cited by this paper
• Crystallographic Evidence for a Free Silylium Ion

  2002cited by this paper
• Topological Analysis of Multiple Metal−Metal Bonds in Dimers of the M2(Formamidinate)4 Type with M = Nb, Mo, Tc, Ru, Rh, and Pd

  2001cited by this paper
• Chemistry with ADF

  2001cited by this paper
• pi bonding in second and third row molecules: testing the strength of Linus's blanket

  2000cited by this paper
• Topological analysis of electron density in depleted homopolar chemical bonds

  1999cited by this paper
• Charge-Shift Bonding in Group IVB Halides: A Valence Bond Study of MH3−Cl (M = C, Si, Ge, Sn, Pb) Molecules

  1999cited by this paper
• On the Topology of the Electron Charge Density at the Bond Critical Point of the Electron-Pair Bond

  1998cited by this paper
• Comparison of C−Cl and Si−Cl Bonds. A Valence Bond Study

  1996cited by this paper
• Classification of chemical bonds based on topological analysis of electron localization functions

  1994cited by this paper
• The charge-shift bonding concept. Electron-pair bonds with very large ionic-covalent resonance energies

  1992cited by this paper
• Theoretical Models of Chemical Bonding

  1991cited by this paper
• Molecules in natural science and medicine : an encomium for Linus Pauling

  1991cited by this paper
• Atoms in molecules : a quantum theory

  1990cited by this paper
• Nonspherical atomic ground‐state densities and chemical deformation densities from x‐ray scattering

  1990cited by this paper
• The chemistry of organic silicon compounds

  1989cited by this paper
• The first demonstration of solvolytic generation of a simple silicenium ion (R3Si+). Access via 1,2-methyl migration

  1987cited by this paper
• Triphenylsilyl perchlorate revisited: /sup 29/Si and /sup 35/Cl NMR spectroscopy and x-ray crystallography showing covalent nature in both solution and the solid state. Difficulties in observing long-lived silyl cations in the condensed state

  1987cited by this paper
• A momentum-space view of the chemical bond. I. The first-row Homonuclear diatomics

  1985cited by this paper
• The absence of bonding electron density in certain covalent bonds as revealed by x-ray analysis

  1983cited by this paper
• X-Ray Study of the Deformation Density in Tetrafluoroterephthalodinitrile: Weak Bonding Density in the C, F-Bond†

  1983cited by this paper
• Quantum Theory of Atoms in Molecules–Dalton Revisited

  1981cited by this paper
• EXPERIMENTAL DETERMINATION OF THE DEFORMATION ELECTRON DENSITY IN HYDROGEN PEROXIDE BY COMBINATION OF X‐RAY AND NEUTRON DIFFRACTION MEASUREMENTS

  1980cited by this paper
• The experimental charge distribution in sulfur containing molecules. Analysis of cyclic octasulfur at 300 and 100 K

  1977cited by this paper
• On the calculation of bonding energies by the Hartree Fock Slater method

  1977cited by this paper
• A new energy decomposition scheme for molecular interactions within the Hartree‐Fock approximation

  1976cited by this paper
• The role of kinetic energy in chemical binding

  1972cited by this paper
• Paradoxical Role of the Kinetic‐Energy Operator in the Formation of the Covalent Bond

  1971cited by this paper
• The structure of triphenylmethyl perchlorate at 85°C

  1965cited by this paper
• The Physical Nature of the Chemical Bond

  1962cited by this paper
• The Nature Of The Chemical Bond

  1939cited by this paper
• Zur Quantentheorie der homöopolaren Valenzzahlen

  1928cited by this paper
• Wechselwirkung neutraler Atome und homöopolare Bindung nach der Quantenmechanik

  1927cited by this paper

• The acid-base concept in modern supramolecular chemistry

  2026cites this paper
• Structural evolution and stabilities of (CuIn)nTe2 and ((CuIn)nTe2)− (n = 1–8) clusters via DFT study

  2026cites this paper
• Structural distortions and lone pair activity in SnSe: A charge density analysis of the phase transition

  2026cites this paper
• Going beyond the Computational Tool: Fermi Potential from DFT as an Electron (De)Localization Descriptor for Correlated Wave Functions.

  2025cites this paper
• Pd–Methyl Bond Energy─Property Correlations, Noncorrelations, Machine Learning Models, and Application to Polymerization Catalysis

  2025cites this paper
• Reductive Deamination of a Diaminogermylene Promoted by an Aluminyl Anion: Isolation of Ge(I), Ge(0) and Ge(-I) Products.

  2025cites this paper
• Chemical structure and its evolution in terms of the superimposed electrostatic, exchange, and total static force fields, and the role of the electronic forces in atomic charge redistribution

  2025cites this paper
• High-symmetry cage-like molecule N20(C2B2)30: computational insight into its bonding and reactivity.

  2025cites this paper
• The interplay between topological defects and CO 2 and NH 3 adsorption in graphene

  2025cites this paper
• Going to Extreme Lengths: Bicyclic Diborane(6) Anions and the Limits of Boron-Boron σ Bonding.

  2025cites this paper
• Differentiating between F and OH Ligands in Homologous Gold(III) Complexes beyond X‐Ray Crystallography

  2025cites this paper
• The nature of the N → C dative bonds in the complexes between piperidine and fullerenes

  2025cites this paper
• Exploring Bonding in Bioinorganic Chemistry: Ab Initio Valence Bond Calculations of Iron(II)‐CO and Iron(IV)‐Oxo Units in Cytochrome P450 under Oriented External Electric Fields

  2025cites this paper
• Investigation of chemical conditions and agglomerated diamond abrasive size effects on polycrystalline magnesium aluminate spinel in force rheological polishing

  2025cites this paper
• Ab Initio Valence Bond Molecular Dynamics: A Study of SN2 Reaction Mechanisms.

  2025cites this paper
• Strain‐Release‐Driven Formation of the Dative Bonds Between Fullerenes and NH3/BH3

  2025cites this paper
• AuI Complexes with Planar Tetracoordinate Carbon and Their Catalytic Activity for the Rearrangement of Allylic Acetates: A Computational Study

  2025cites this paper
• Ability of strained C atoms to act as an electron donor

  2025cites this paper
• First Complete Structural Analysis of an 1,3-Diphospha-2,4,5-trisila[1.1.1]propellane: Isolation and Theoretical Insights

  2025cites this paper
• Synergistic Charge Transfer Effect in Ferrous Heme–CO Bonding within Cytochrome P450

  2024cites this paper
• On the aromaticity of actinide compounds

  2024cites this paper
• Silylenes with a small chalcogenide substituent: Tuning frontier orbital energies from O to Te.

  2024cites this paper
• Analysis of the Unusual Chemical Bonds and Dipole Moments of AeF- (Ae = Be - Ba): A Lesson in Covalent Bonding.

  2024cites this paper
• Identifying a real space measure of charge-shift bonding with probability density analysis

  2024cites this paper
• Double-boron heterocyclic carbenes: a computational study of Diels-Alder reactions.

  2024cites this paper
• Rethinking polyiodides: the role of electron-deficient multicenter bonds.

  2024cites this paper
• Exceptions, Paradoxes, and Their Resolutions in Chemical Reactivity

  2024cites this paper
• Exfoliation of Metal-Organic Frameworks to Give 2D MOF Nanosheets for the Electrocatalytic Oxygen Evolution Reaction.

  2024cites this paper
• Unraveling the Bonding and Aromaticity of Pentazole, Pentaphosphole, and Cyclopentadiene Anions: A Comprehensive Study.

  2024cites this paper
• Toward the Electrostatic Catalysis of Nucleophilic Substitutions: A Surface Chemistry Study of the Menshutkin Reaction.

  2024cites this paper
• Controllable Diverse Construction of gem-Difluoroallylated Bicyclo[1.1.1]pentanes and Cyclobutanes from [1.1.1]Propellane via Copper Catalysis

  2024cites this paper
• Ligand-Controlled Copper-Catalyzed Halo-Halodifluoromethylation of Alkenes and Alkynes Using Fluorinated Carboxylic Anhydrides.

  2024cites this paper
• Charge-Shift Bonding Propensity in Halogen-Bonded BXY (B Is a Small Lewis Base H2O or NH3; X and Y Are Halogen Atoms) Complexes: An NBO/NRT/AIM Investigation

  2023cites this paper
• Strain-Release Photocatalysis.

  2023cites this paper
• The Ambiguous Origin of Thermochromism in Molecular Crystals of Dichalcogenides: Chalcogen Bonds versus Dynamic Se─Se/Te─Te Bonds.

  2023cites this paper
• The borderless world of chemical bonding across the van der Waals crust and the valence region

  2023cites this paper
• Nature of Chemical Bond in BeF− Anion: A Charge Shift Bond From Electron Density Signatures

  2023cites this paper
• Re‐establishing the Lost Covalency of the Inverted Bond in [1.1.1]Propellane

  2023cites this paper
• Anions featuring an aluminium–silicon core with alumanyl silanide and aluminata-silene characteristics

  2023cites this paper
• Warning! The negative divergence of the stress-tensor does not always yield the Ehrenfest force.

  2023cites this paper
• An atoms‐in‐molecules characterization of the nature of the OO bond in peroxides and nitroxide dimers

  2023cites this paper
• Understanding and Controlling Fluorinated Diacyl Peroxides and Fluoroalkyl Radicals in Alkene Fluoroalkylations

  2023cites this paper
• How Genuine is the Quadruple Bond in AeF– (Ae = Be - Ba)?

  2023cites this paper
• First-Principles Calculation of CaO–Al2O3–CaF2 Slag

  2023cites this paper
• Nonclassical tetracoordinate carbon in exohedral complexes of hexaprismanes X12H12Cn (X = C, Si, Ge; n = 1–3)

  2023cites this paper
• On the nature of inter-anion coinage bonds.

  2023cites this paper
• Bidirectional Charge Transfer at the Heme Iron in Reversible and Quasi-irreversible Cytochrome P450 Inhibition.

  2023cites this paper
• Unusual Water Oxidation Mechanism via a Redox-Active Copper Polypyridyl Complex

  2023cites this paper
• Small Gold-Thiolate Clusters Au3(SMe)3: Benchmarking of Density Functionals and Bonding Analysis

  2022cites this paper
• On the Nature of the Bonding in Coinage Metal Halides

  2022cites this paper
• Bonding in a Crystalline Tri‐Thorium Cluster: Not σ‐Aromatic But Still Unique

  2022cites this paper
• Collective interactions among organometallics are exotic bonds hidden on lab shelves

  2022cites this paper
• Can a chemical bond be exclusively covalent or ionic?

  2022cites this paper
• First-Principles Study on Microstructure of CaO-Al2O3-B2O3 Slag

  2022cites this paper
• Strain‐Release Pentafluorosulfanylation and Tetrafluoro(aryl)sulfanylation of [1.1.1]Propellane: Reactivity and Structural Insight

  2022cites this paper
• A new 3D-aromatic organoboron species on the basis of CB6 unit: Two states of carbon hypercoordination and structural isomerism of non-classical forms

  2022cites this paper
• Electron group localization in atoms and molecules.

  2022cites this paper
• Electronic band structure and chemical bonding in trigonal Se and Te

  2022cites this paper
• Demarcating Noncovalent and Covalent Bond Territories: Imine-CO2 Complexes and Cooperative CO2 Capture.

  2022cites this paper
• Low‐Temperature Isolation of a Labile Silylated Hydrazinium‐yl Radical Cation, [(Me3Si)2N−N(H)SiMe3].+

  2022cites this paper
• Exploring the nature of electron-pair bonds: an energy decomposition analysis perspective

  2022cites this paper
• Atomic shell structure from Born probabilities: Comparison to other shell descriptors and persistence in molecules.

  2022cites this paper
• The Breathing-Orbital Valence Bond Method: A VB Method That Includes Dynamic Electron Correlation

  2022cites this paper
• Partial Double Metal-Carbon Bonding Model in Transition Metal Methyl Compounds.

  2022cites this paper
• Crystallographic and theoretical study of the atypical distorted octahedral geometry of the metal chromophore of zinc(II) bis((1R,2R)-1,2-diaminocyclohexane) dinitrate

  2022cites this paper
• A σ-Aromatic Tri-Thorium Bonding: Does It Really Exist?

  2022cites this paper
• Geometries, interaction energies and bonding in [Po(H2O)n]4+ and [PoCln]4-n complexes.

  2022cites this paper
• HSH-C10: A new quasi-2D carbon allotrope with a honeycomb-star-honeycomb lattice

  2021cites this paper
• A Crystalline Tri-thorium Cluster: When Metal σ-Aromaticity Just Isn’t Enough

  2021cites this paper
• Questioning the orbital picture of magnetic spin coupling: a real space alternative.

  2021cites this paper
• Relating Bond Strength and Nature to the Thermodynamic Stability of Hypervalent Togni-Type Iodine Compounds.

  2021cites this paper
• Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package

  2021cites this paper
• A Critical Look at Linus Pauling’s Influence on the Understanding of Chemical Bonding

  2021cites this paper
• Nature of the Trigger Linkage in Explosive Materials Is a Charge-Shift Bond.

  2021cites this paper
• Astatine Facing Janus: Halogen Bonding vs. Charge-Shift Bonding

  2021influential citation
• The building blocks of matter

  2021cites this paper
• Advances in the Chemistry of Astatine and Implications for the Development of Radiopharmaceuticals.

  2021cites this paper
• Structure and Bonding of Group 14 Clusters: Wade’s Rules and Beyond

  2021cites this paper
• A Conversation on New Types of Chemical Bonds

  2021cites this paper
• Non-classical polyinterhalides of chlorine monofluoride: experimental and theoretical characterization of [F(ClF)3]−

  2021cites this paper
• Delocalized relativistic effects, from the viewpoint of halogen bonding.

  2021cites this paper
• Ab Initio Dot Structures Beyond the Lewis Picture

  2021cites this paper
• Theoretical Investigation on the Elusive Reaction Mechanism of Spirooxindole Formation Mediated by Cytochrome P450s: A Nascent Feasible Charge-Shift C-O Bond Makes a Difference.

  2021cites this paper
• Review on Schiff Base: A Scrupulous Binding Detector for Metal Ions

  2020cites this paper
• Na…B Bond in NaBH3-; A Bond Like No Other.

  2020cites this paper
• Insights into the Topology and the Formation of a Genuine ppσ Bond: Experimental and Computed Electron Densities in Monoanionic Trichlorine [Cl3]−

  2020cites this paper
• Metathetical Exchange between Metal-Metal Triple Bonds.

  2020cites this paper
• The “Decisive” Role for Secondary Coordination Sphere Nucleophiles on Hydrogen Atom Transfer (HAT) Reactions: Does It Exist and What Is Its Origin?

  2020cites this paper
• Expression and interactions of stereochemically active lone pairs and their relation to structural distortions and thermal conductivity

  2020cites this paper
• Side-On versus End-On Binding Modes between Metal Cations and (NHC)AlAl(NHC)

  2020cites this paper
• Unifying Conceptual Density Functional and Valence Bond Theory: The Hardness–Softness Conundrum Associated with Protonation Reactions and Uncovering Complementary Reactivity Modes

  2020cites this paper
• Giant piezoelectricity in B/N doped 4,12,2-graphyne

  2020cites this paper
• 1 Electrostatic catalysis of a Diels-Alder reaction

  2020cites this paper
• Computational Insights on the Mechanism of the Chemiluminescence Reaction of New Group of Chemiluminogens—10-Methyl-9-thiophenoxycarbonylacridinium Cations

  2020cites this paper
• Quantum chemical topology at the spin–orbit configuration interaction level: Application to astatine compounds

  2020cites this paper
• Energy components in energy decomposition analysis (EDA) are path functions; why does it matter?

  2020cites this paper
• Highly Regioselective Addition of Allylic Zinc Halides and Various Zinc Enolates to [1.1.1]Propellane

  2020cites this paper
• Clarifying the quantum mechanical origin of the covalent chemical bond

  2020cites this paper
• A rapid method for analyzing the chemical bond from energy densities calculations at the bond critical point

  2020cites this paper
• An Update on Multiple Bonding between Heavier Main Group Elements: The Importance of Pauli Repulsion, Charge-Shift Character, and London Dispersion Force Effects

  2020cites this paper