Formation of bare UO2(2+) and NUO(+) by fragmentation of gas-phase uranyl-acetonitrile complexes.

No abstract is available for this paper.

• Publication year

  2014

• Venue

  Journal of Physical Chemistry A

• Publication date

  2014-08-21

• Fields of study

  Medicine, Chemistry

• Identifiers
  DOI 10.1021/jp5066067PMID 25121574
• 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.

• Activation of gas-phase uranyl: from an oxo to a nitrido complex.

  2014cited by this paper
• Dissociation of gas-phase bimetallic clusters as a probe of charge densities: the effective charge of uranyl.

  2014cited by this paper
• Probing the electronic structure and chemical bonding in tricoordinate uranyl complexes UO2X3- (X = F, Cl, Br, I): competition between Coulomb repulsion and U-X bonding.

  2013cited by this paper
• Metalated nitriles: N- and C-coordination preferences of Li, Mg, and Cu cations.

  2013cited by this paper
• Gas-phase uranyl, neptunyl, and plutonyl: hydration and oxidation studied by experiment and theory.

  2012cited by this paper
• Observation and investigation of the uranyl tetrafluoride dianion (UO2F42−) and its solvation complexes with water and acetonitrile

  2012cited by this paper
• Roles of acetone and diacetone alcohol in coordination and dissociation reactions of uranyl complexes.

  2012cited by this paper
• On the origins of faster oxo exchange for uranyl(V) versus plutonyl(V).

  2012cited by this paper
• Gas-Phase Coordination Complexes of UVIO22+, NpVIO22+, and PuVIO22+ with Dimethylformamide

  2011cited by this paper
• Geometries, electronic structures, and excited states of UN2, NUO+, and UO22+: a combined CCSD(T), RAS/CASPT2 and TDDFT study

  2011cited by this paper
• How accurate are electronic structure methods for actinoid chemistry?

  2011cited by this paper
• On the formation of "hypercoordinated" uranyl complexes.

  2011cited by this paper
• Electron transfer dissociation of dipositive uranyl and plutonyl coordination complexes.

  2011cited by this paper
• Quantum relativistic investigation about the coordination and bonding effects of different ligands on uranyl complexes

  2010cited by this paper
• Gas phase computational studies on the competition between nitrile and water ligands in uranyl complexes.

  2010cited by this paper
• Gas-phase energetics of actinide oxides: an assessment of neutral and cationic monoxides and dioxides from thorium to curium.

  2009cited by this paper
• Density functional studies on the complexation and spectroscopy of uranyl ligated with acetonitrile and acetone derivatives.

  2009cited by this paper
• Can electrospray mass spectrometry quantitatively probe speciation? Hydrolysis of uranyl nitrate studied by gas-phase methods.

  2009cited by this paper
• Linear uranium complexes X2UL5 with L=cyanide, isocyanate: DFT evidence for similarities between uranyl (X=O) and uranocene (X=Cp) derivatives.

  2008cited by this paper
• Density functionals with broad applicability in chemistry.

  2008cited by this paper
• Quantum chemical calculations of reduction potentials of AnO2(2+)/AnO2+ (An = U, Np, Pu, Am) and Fe3+/Fe2+ couples.

  2006cited by this paper
• Vibrational spectroscopy of mass-selected [UO2(ligand)n]2+ complexes in the gas phase: comparison with theory.

  2006cited by this paper
• Gas-phase uranyl-nitrile complex ions.

  2006cited by this paper
• A new local density functional for main-group thermochemistry, transition metal bonding, thermochemical kinetics, and noncovalent interactions.

  2006cited by this paper
• Ions generated from uranyl nitrate solutions by electrospray ionization (ESI) and detected with fourier transform ion-cyclotron resonance (FT-ICR) mass spectrometry

  2006cited by this paper
• Density functional studies of actinyl aquo complexes studied using small-core effective core potentials and a scalar four-component relativistic method.

  2005cited by this paper
• Theoretical investigations of uranyl-ligand bonding: four- and five-coordinate uranyl cyanide, isocyanide, carbonyl, and hydroxide complexes.

  2005cited by this paper
• Oxidation studies of dipositive actinide ions, An2+ (An = Th, U, Np, Pu, Am) in the gas phase: synthesis and characterization of the isolated uranyl, neptunyl, and plutonyl ions UO2(2+)(g), NpO2(2+)(g), and PuO2(2+)(g).

  2005cited by this paper
• Oxidation of 2-propanol ligands during collision-induced dissociation of a gas-phase uranyl complex

  2004cited by this paper
• Role of solvation in the reduction of the uranyl dication by water: a density functional study.

  2004cited by this paper
• Gas-Phase Complexes Containing the Uranyl Ion and Acetone

  2004cited by this paper
• Intrinsic hydration of monopositive uranyl hydroxide, nitrate, and acetate cations

  2004cited by this paper
• Unsaturated nitriles: conjugate additions of carbon nucleophiles to a recalcitrant class of acceptors.

  2003cited by this paper
• Elucidation of the collision induced dissociation pathways of water and alcohol coordinated complexes containing the uranyl cation

  2003cited by this paper
• Speciation and coordination chemistry of uranyl(VI)-citrate complexes in aqueous solution.

  2003cited by this paper
• Modeling complexes of the uranyl ion UO2L2n+: Binding energies, geometries, and bonding analysis

  2003cited by this paper
• Gas-phase chemistry of actinide ions: probing the distinctive character of the 5f elements

  2002cited by this paper
• Gas-Phase Reactions of U+ and U2+ with O2 and H2O in a Quadrupole Ion Trap

  2002cited by this paper
• Nitrile anions: solvent-dependent cyclizations.

  2002cited by this paper
• Reactions of actinide ions with ethylene oxide.

  2001cited by this paper
• Valence basis sets for relativistic energy-consistent small-core actinide pseudopotentials

  2001cited by this paper
• Uranium triatomic compounds XUY (X,Y=C,N,O): a combined multiconfigurational second-order perturbation and density functional study

  2000cited by this paper
• Theoretical Studies of the Properties and Solution Chemistry of AnO22+and AnO2+Aquo Complexes for An = U, Np, and Pu

  2000cited by this paper
• Computational study of analogues of the uranyl ion containing the -N=U=N- unit: density functional theory calculations on UO2(2+), UON+, UN2, UO(NPH3)3+, U(NPH3)2(4+), [UCl4[NPR3]2] (R = H, Me), and [UOCl4[NP(C6H5)3]].

  2000cited by this paper
• Reduction Behavior of the Early Actinyl Ions in Aqueous Solution

  1999cited by this paper
• Reduction of uranyl by hydrogen: an ab initio study

  1999cited by this paper
• Hydration of UO22+ and PuO22+

  1999cited by this paper
• Gas-phase transuranium chemistry: reactions of actinide ions with alcohols and thiols.

  1999cited by this paper
• GAS-PHASE TRANSURANIUM ORGANOMETALLIC CHEMISTRY : REACTIONS OF NP+, PU+, NPO+, AND PUO+ WITH ALKENES

  1998cited by this paper
• Chemistry of actinide and lanthanide metal ions (M+) in laser ablation of dispersions of inorganic compounds in polyimide and polytetrafluoroethylene

  1997cited by this paper
• Gas-Phase f-Element Organometallic Chemistry: Reactions of Cyclic Hydrocarbons with Th+, U+, ThO+, UO+, and Lanthanide Ions, Ln+

  1997cited by this paper
• THE BARE URANYL(2+) ION, UO22+

  1996cited by this paper
• Hydrocarbon activation by “bare” uranium cations: formation of a cationic uranium-benzene complex from three ethylene units

  1995cited by this paper
• NUO+, a New Species Isoelectronic to the Uranyl Dication UO

  1995cited by this paper
• Energy‐adjusted pseudopotentials for the actinides. Parameter sets and test calculations for thorium and thorium monoxide

  1994cited by this paper
• COVALENT BOND ORDERS AND ATOMIC VALENCE INDICES IN THE TOPOLOGICAL THEORY OF ATOMS IN MOLECULES

  1994cited by this paper
• Density-functional thermochemistry. III. The role of exact exchange

  1993cited by this paper
• Electrospray Mass Spectrometry as a Technique for Elemental Analysis: Preliminary Results

  1992cited by this paper
• Reaction Path Following in Mass-Weighted Internal Coordinates

  1990cited by this paper
• Gaussian basis sets for use in correlated molecular calculations. I. The atoms boron through neon and hydrogen

  1989cited by this paper
• An improved algorithm for reaction path following

  1989cited by this paper
• Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density.

  1988cited by this paper
• Complexation of Pentavalent and Hexavalent Actinides by Fluoride

  1984cited by this paper
• The path of chemical reactions - the IRC approach

  1981cited by this paper
• Reactions of U+ and UO+ with O2, CO, CO2, COS, CS2 and D2O

  1980cited by this paper
• Partial Charge‐Transfer Reactions at Thermal Energies

  1972cited by this paper

• Photodissociation and Infrared Spectroscopy of U+(CO2) n , UO+(CO2) n , and UO2+(CO2) n Cation-Molecular Complexes

  2026cites this paper
• Creation of Gas‐Phase Organo‐Uranium Species by Removal of “yl” Oxo Ligands From UO22+ Carboxylate Precursor Ions

  2024cites this paper
• Synthesis of organo-uranium(II) species in the gas-phase using reactions between [UH]+ and nitriles.

  2024cites this paper
• Reactions of gas-phase uranyl formate/acetate anions: reduction of carboxylate ligands to aldehydes by intra-complex hydride attack.

  2024cites this paper
• Gas-phase synthesis of [OU-X]+ (X = Cl, Br and I) from a UO22+ precursor using ion-molecule reactions and an [OUCH]+ intermediate.

  2024cites this paper
• Conversion of a UO22+ Precursor to UH+ and U+ Using Tandem Mass Spectrometry to Remove Both “yl” Oxo Ligands

  2023cites this paper
• Organolanthanide Complexes Containing Ln-CH3 σ-bonds: Unexpectedly Similar Hydrolysis Rates for Trivalent and Tetravalent Organocerium.

  2023cites this paper
• Cis- and trans-binding influences in [NUO·(N2)n].

  2022cites this paper
• Ion-molecule reactions of mass-selected ions.

  2022cites this paper
• Linearity and Chemical Bond of UO22+ Revisited: A Comparison Study with UN2 and UE22+ (E = S, Se, and Te) Based on Relativistic Calculations.

  2022cites this paper
• Intrinsic Reactivity of [OUCH]+ : Apparent Synthesis of [OUS]+ by Reaction with CS2.

  2022cites this paper
• Collision-induced dissociation of [UO2 (NO3 )(O2 )]- and reactions of product ions with H2 O and O2.

  2021cites this paper
• Intrinsic chemistry of [OUCH]+: reactions with H2O, CH3C[triple bond, length as m-dash]N and O2.

  2021cites this paper
• Creation of [OUF]+ using gas-phase reactions of [UO2(C6F5)]+

  2021cites this paper
• Anion photoelectron spectroscopic and relativistic coupled-cluster studies of uranyl dichloride anion, UO2Cl2−

  2021cites this paper
• Anion photoelectron spectroscopic and relativistic coupled-cluster studies of uranyl dichloride anion, UO[formula omitted]Cl[formula omitted]

  2021cites this paper
• Destruction and reconstruction of UO22+ using gas-phase reactions.

  2021cites this paper
• Collision-induced dissociation of [UO2 (NO3 )3 ]- and [UO2 (NO3 )2 (O2 )]- and reactions of product ions with H2 O and O2.

  2021cites this paper
• Coupled Cluster Study of the Interactions of AnO2, AnO2+, and AnO22+ (An = U, Np) with N2 and CO.

  2020cites this paper
• Photodissociation and Theory to Investigate Uranium Oxide Cluster Cations.

  2020cites this paper
• Using Tandem Mass Spectrometry and IRMPD Spectroscopy to Determine the Intrinsic Reactions of Uranyl-Containing Ions

  2020cites this paper
• Formation and Hydrolysis of Gas-phase [UO2 (R)]+ : R=CH3 , CH2 CH3 , CH=CH2 and C6 H5.

  2019cites this paper
• Measurement of the asymmetric UO22+ stretching frequency for [UVIO2(F)3]- using IRMPD spectroscopy

  2019cites this paper
• High-Pressure Studies of Cesium Uranyl Chloride.

  2019cites this paper
• Gas-Phase Deconstruction of UO22+: Mass Spectrometry Evidence for Generation of [OUVICH]+ by Collision-Induced Dissociation of [UVIO2(C≡CH)]+

  2019cites this paper
• A Comparative IRMPD and DFT Study of Fe3+ and UO22+ Complexation with N-Methylacetohydroxamic Acid.

  2018cites this paper
• A solution- and gas-phase study of uranyl hydroxamato complexes

  2018cites this paper
• Formation of [UVOF4]− by collision-induced dissociation of a [UVIO2(O2)(O2C-CF3)2]− precursor

  2018cites this paper
• Probing Actinide Bonds in the Gas Phase

  2018cites this paper
• Reductive activation of neptunyl and plutonyl oxo species with a hydroxypyridinone chelating ligand.

  2018cites this paper
• Influence of Background H2O on the Collision-Induced Dissociation Products Generated from [UO2NO3]+

  2018cites this paper
• Collision-induced dissociation of [UVI O2 (ClO4 )]+ revisited: Production of [UVI O2 (Cl)]+ and subsequent hydrolysis to create [UVI O2 (OH)].

  2018cites this paper
• Speciation of uranium-mandelic acid complexes using electrospray ionization mass spectrometry and density functional theory.

  2017cites this paper
• Cleaving Off Uranyl Oxygens through Chelation: A Mechanistic Study in the Gas Phase.

  2017cites this paper
• Activation of carbon dioxide by a terminal uranium-nitrogen bond in the gas-phase: a demonstration of the principle of microscopic reversibility.

  2016cites this paper
• 4-Component relativistic calculations of L3 ionization and excitations for the isoelectronic species UO2(2+), OUN(+) and UN2.

  2016cites this paper
• Quantum Chemistry Calculations of Energetic and Spectroscopic Properties of p- and f-Block Molecules

  2016cites this paper
• Dissociation of gas-phase, doubly-charged uranyl-acetone complexes by collisional activation and infrared photodissociation

  2016cites this paper
• Gas Phase Reactions of Ions Derived from Anionic Uranyl Formate and Uranyl Acetate Complexes

  2016cites this paper
• Collision-induced dissociation of uranyl-methoxide and uranyl-ethoxide cations: Formation of UO2 H(+) and uranyl-alkyl product ions.

  2016cites this paper