High-resolution photodetachment spectroscopy from the lowest threshold of<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msup><mml:mi mathvariant="normal">O</mml:mi><mml:mrow><mml:mo>−</mml:mo></mml:mrow></mml:msup></mml:mrow></mml:math>

Joiner, Anne; Mohr, Robert H.; Yukich, John N.

doi:10.1103/physreva.83.035401

Cited by 9 publications

(7 citation statements)

References 16 publications

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“…For low OS, the 6d and 5f covalency contributions, indicated by 6d and 5f Excess, are roughly comparable; for high OS, U(V) and U(VI), the 5f contribution (i.e., 5f Excess) is much greater than the 6d (Figure ). An analysis of a simple full Coulombic binding model using experimental data , for ionization potentials and electron affinities is given in the SI.…”

Section: Results and Discussionmentioning

confidence: 99%

A Computational Assessment of Actinide Dioxide Cations AnO₂²⁺for An = U to Lr: The Limited Stability Range of the Hexavalent Actinyl Moiety, [O═An═O]²⁺

et al. 2020

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The isolated gas-phase actinide dioxide dications, AnO 2 2+ , were evaluated by DFT and coupled cluster CCSD(T) calculations for 12 actinides, An = U−Lr. CASSCF calculations were used to define the orbitals for the CCSD(T) calculations. The characteristic linear [OAnO] 2+ hexavalent actinyl(VI) was found to be the lowest energy structure for An = U, Np, and Pu, which also form stable actinyl(VI) species in solution and possibly for Am when spin−orbit effects are included. For Am, there is a divalent [An II (O 2 )] 2+ structure where the dioxygen is an end-on physisorbed η 1 -3 O 2 2 kcal/mol above the actinyl when spin−orbit effects are included which lower the energy of the actinyl structure. For An = Cm, Bk, and Lr, the lowest energy structure is trivalentwhere the dioxygen is a side-on superoxide, η 2 -O 2 − . For Cm, the actinyl is close in energy to the ground state when spin−orbit effects are included. For An = Cf, Es, Fm, Md, and No, the lowest energy structure is divalent [An II (O 2 )] 2+ where the dioxygen is an end-on physisorbed η 1 -3 O 2 . The relative energies suggest that curyl(VI) and berkelyl(VI), like well-known americyl(VI), might be stabilized by coordinating ligands in condensed phases. The results further indicate that for californyl and beyond, the actinyl(VI) moieties will probably be elusive even using strong donor ligands. The prevalence of low oxidation states (OSs) An(II) and An(III) for transplutonium actinides reflects stabilization of the 5f orbitals and validates established trends, including the remarkably high stability of divalent No. Bond distances and other parameters suggest maximum bond covalency around plutonyl(VI), with a particularly substantial decrease in bond strength between americyl(VI) and curyl(VI).

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Section: Results and Discussionmentioning

confidence: 99%

A Computational Assessment of Actinide Dioxide Cations AnO₂²⁺for An = U to Lr: The Limited Stability Range of the Hexavalent Actinyl Moiety, [O═An═O]²⁺

et al. 2020

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“…[17] or, more recently, in Ref. [23], have not yet been successfully used to extract numerical values for g J . On the other hand, the direct measurement of the microwave transitions between Zeeman sublevels of the 2 P 3/2 ground state in 32 S − by Jopson and Larson [18] yielded a Landé g factor with a remarkable precision of 2 × 10 −5 .…”

Section: Resultsmentioning

confidence: 99%

Measurement of the Zeeman effect in an atomic anion: Prospects for laser cooling ofOs−

2014

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The negative osmium ion Os − is one of very few atomic anions potentially suitable for laser cooling. We have made a measurement of the Zeeman splitting of a bound-bound transition in 192 Os − by studying the laser excitation from the 5d 7 6s 2 4 F e 9/2 ground to the 5d 6 6s 2 6p 6 D o 9/2 excited state in a homogeneous external magnetic field. The experimental Landé factors g J = 1.31(7) and g J = 1.50(8), respectively, agree well with calculated values. Both levels are found to split into 10 Zeeman sublevels, resulting in 28 allowed transitions of different relative intensities, in agreement with calculations based on pure and composite LS states. In view of the experimental results, the prospects for laser cooling of Os − are discussed.

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“…Temperature dependent rate constants have been measured for the O + C 4 H 2 reaction indicating the presence of a barrier. To estimate the rate constant for O + C 6,8,10 H 2 reactions we apply the prediction criteria from Smith et al 2006 leading to no barrier for the O + C 6,8,10 H 2 reactions (Ionization Energy(C 6,8,10 H 2 ) -Electron Affinity(O) < 8.75 eV, IE (C 6 H 2 ) = 9.50 eV (Bieri et al 1977), IE (C 8,10 H 2 ) < 9.50 eV and EA(O) = 1.439 eV (Joiner et al 2011)). The linear cumulenic 1 C 5,7,9 H 2 isomers are also likely to follow the prediction criteria (the calculated IE of C 5 H 2 is found to be equal to 9.30 eV at M06-2X/cc-pVTZ level).…”

Section: O + 1 C N H 2 Reactionsmentioning

confidence: 99%

The gas-phase chemistry of carbon chains in dark cloud chemical models

Loison¹,

Wakelam²,

Hickson³

et al. 2013

Monthly Notices of the Royal Astronomical Society

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We review the reactions between carbon chain molecules and radicals, namely C n , C n H, C n H 2 , C 2n+1 O, C n N, HC 2n+1 N, with C, N and O atoms. Rate constants and branching ratios for these processes have been re-evaluated using experimental and theoretical literature data. In total 8 new species have been introduced, 41 new reactions have been proposed and 122 rate coefficients from kida.uva.2011 ) have been modified. We test the effect of the new rate constants and branching ratios on the predictions of gas-grain chemical models for dark cloud conditions using two different C/O elemental ratios. We show that the new rate constants produce large differences in the predicted abundances of carbon chains since the formation of long chains is less effective. The general agreement between the model predictions and observed abundances in the dark cloud TMC-1 (CP) is improved by the new network and we find that C/O ratios of 0.7 and 0.95 both produce a similar agreement for different times. The general agreement for L134N (N) is not significantly changed. The current work specifically highlights the importance of O + C n H and N + C n H reactions. As there are very few experimental or theoretical data for the rate constants of these reactions we highlight the need for experimental studies of the O + C n H and N + C n H reactions, particularly at low temperature.

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High-resolution photodetachment spectroscopy from the lowest threshold ofO−

Cited by 9 publications

References 16 publications

A Computational Assessment of Actinide Dioxide Cations AnO₂²⁺for An = U to Lr: The Limited Stability Range of the Hexavalent Actinyl Moiety, [O═An═O]²⁺

A Computational Assessment of Actinide Dioxide Cations AnO₂²⁺for An = U to Lr: The Limited Stability Range of the Hexavalent Actinyl Moiety, [O═An═O]²⁺

Measurement of the Zeeman effect in an atomic anion: Prospects for laser cooling ofOs−

The gas-phase chemistry of carbon chains in dark cloud chemical models

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High-resolution photodetachment spectroscopy from the lowest threshold ofO−

Cited by 9 publications

References 16 publications

A Computational Assessment of Actinide Dioxide Cations AnO22+for An = U to Lr: The Limited Stability Range of the Hexavalent Actinyl Moiety, [O═An═O]2+

A Computational Assessment of Actinide Dioxide Cations AnO22+for An = U to Lr: The Limited Stability Range of the Hexavalent Actinyl Moiety, [O═An═O]2+

Measurement of the Zeeman effect in an atomic anion: Prospects for laser cooling ofOs−

The gas-phase chemistry of carbon chains in dark cloud chemical models

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A Computational Assessment of Actinide Dioxide Cations AnO₂²⁺for An = U to Lr: The Limited Stability Range of the Hexavalent Actinyl Moiety, [O═An═O]²⁺

A Computational Assessment of Actinide Dioxide Cations AnO₂²⁺for An = U to Lr: The Limited Stability Range of the Hexavalent Actinyl Moiety, [O═An═O]²⁺