Reactions of Cobalt Cluster Anions with Oxygen, Nitrogen, and Carbon Monoxide

Kapiloff, Elizabeth; Ervin, Kent M.

doi:10.1021/jp972404s

Cited by 46 publications

(41 citation statements)

References 75 publications

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“…Studying the oxidation process with gasphase transition-metal clusters can provide quantitative data concerning the elementary steps that make up the complicated surface processes and thus help elucidate surface science at a molecular level. The reactivity of cobalt anion clusters, Co n − ͑n =2-8͒, toward O 2 was reported by Kapiloff and Ervin 16 using a flow tube reactor. 8͒ cluster cations with O 2 , as well as the reactions of Fe ͑Ref.…”

Section: Introductionmentioning

confidence: 71%

Guided ion-beam studies of the reactions of Con+ (n=2–20) with O2: Cobalt cluster-oxide and -dioxide bond energies

Liu

Armentrout

2005

The Journal of Chemical Physics

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The kinetic-energy dependence for the reactions of Co(n)+ (n=2-20) with O2 is measured as a function of kinetic energy over a range of 0 to 10 eV in a guided ion-beam tandem mass spectrometer. A variety of Co(m)+, Co(m)O+, and Co(m)O2+ (m < or = n) product ions is observed, with the dioxide cluster ions dominating the products for all larger clusters. Reaction efficiencies of Co(n)+ cations with O2 are near unity for all but the dimer. Bond dissociation energies for both cobalt cluster oxides and dioxides are derived from threshold analysis of the energy dependence of the endothermic reactions using several different methods. These values show little dependence on cluster size for clusters larger than three atoms. The trends in this thermochemistry and the stabilities of oxygenated cobalt clusters are discussed. The bond energies of Co(n)+-O for larger clusters are found to be very close to the value for desorption of atomic oxygen from bulk-phase cobalt. Rate constants for O2 chemisorption on the cationic clusters are compared with results from previous work on cationic, anionic, and neutral cobalt clusters.

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Section: Introductionmentioning

confidence: 71%

Guided ion-beam studies of the reactions of Con+ (n=2–20) with O2: Cobalt cluster-oxide and -dioxide bond energies

Liu

Armentrout

2005

The Journal of Chemical Physics

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“…The sizespecific reactivity of Co n -to CO has been explained in terms of an effective interaction between the molecular orbitals of CO and the d-orbitals of Co n -. 32,33 It is also well recognized that charge transfer from the metal surface to the anti-bonding orbital of CO 2 induces the chemisorption of CO 2 in a bent form. 9,34,35 These results suggest that the size-dependent reactivity observed here is related to the electronic structures of Co n -although no obvious correlation with the sizedependent behavior of photoelectron spectra of Co n -was found.…”

Section: Resultsmentioning

confidence: 99%

Size-Specific, Dissociative Activation of Carbon Dioxide by Cobalt Cluster Anions

et al. 2016

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The reaction of cobalt cluster anions Co_n^– (3 ≤ n ≤ 17) with CO₂ was studied experimentally and theoretically to explore the size-specific activation mode of CO₂ by Co_n^–. Mass spectrometric measurements revealed that the reactivity depends strongly on cluster size: the reactivity emerges abruptly at n = 7, peaks at n = 8–10, and then gradually decreases with increasing n. Infrared multiple photon dissociation spectra of Co_nCO₂^– exhibit a single peak at ∼1870 cm^–1, similarly to the previously reported spectra of Co_nCO^–. Density functional theory calculations for Co₇CO₂^– as an example revealed that the dissociative adsorption of CO₂ into CO and O is energetically more favorable than nondissociative adsorption. The infrared spectra calculated for dissociated isomers Co₇(CO)O^– reproduced the experimental results, whereas those for nondissociated isomers Co₇CO₂^– did not. The photoelectron spectra of Co_nCO₂^– were shifted dramatically toward higher energies relative to those of Co_n^–, suggesting electron transfer from Co_n^– to the CO and O ligands. These results indicate that the CO₂ molecule adsorbs dissociatively on Co_n^–, in sharp contrast to its nondissociative adsorption onto the Co monomer anion

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“…In fact, these clusters are partially extensively studied both experimentally and theoretically, [9][10][11][12][13][14][15][16][17][18][19][20][21][22][23][24][25][26][27][28] …”

Section: Introductionmentioning

confidence: 99%

Ab Initio Study of Structure and Magnetism of Late Transition Metal Oxide TM_nO_m Clusters (TM = Fe, Co, Ni, n = 1, 2, m = 1–6)

Wang¹,

Chen²,

Wang³

2012

j nanosci nanotechnol

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We systematically investigate the structural and magnetic properties of late transition metal oxide clusters, TMnOm (TM = Fe, Co, Ni; n = 1, 2; m = 1-6) by using ab initio density functional theory approach. FenOm clusters prefer to adopt three dimensional configurations, while ConOm and NinOm clusters are apt to form planar structures. The O atoms are all atomic bonding to Fe atoms in the FenOm clusters, and are partly molecularly adsorbed to Co(Ni) in ConOm(NinOm) clusters, such as Co2O(5-6) (NiO3, and Ni2O(4-6)). The average binding energies per atom of TMnOm show a monotonous increase trend with the increase of O atoms for both n = 1 and 2 for TM = Fe, Co and Ni, and reach the peak at m = 4 for TM2Om and decrease a little bit afterwards. The odd-even magnetic oscillation is major trait with the peaks at odd and bottoms at even sizes for Fe2Om and Ni2Om (m = 2-6), respectively and large magnetic moments are found in Co2O3 and Co2O6.

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Reactions of Cobalt Cluster Anions with Oxygen, Nitrogen, and Carbon Monoxide

Cited by 46 publications

References 75 publications

Guided ion-beam studies of the reactions of Con+ (n=2–20) with O2: Cobalt cluster-oxide and -dioxide bond energies

Guided ion-beam studies of the reactions of Con+ (n=2–20) with O2: Cobalt cluster-oxide and -dioxide bond energies

Size-Specific, Dissociative Activation of Carbon Dioxide by Cobalt Cluster Anions

Ab Initio Study of Structure and Magnetism of Late Transition Metal Oxide TM_nO_m Clusters (TM = Fe, Co, Ni, n = 1, 2, m = 1–6)

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Reactions of Cobalt Cluster Anions with Oxygen, Nitrogen, and Carbon Monoxide

Cited by 46 publications

References 75 publications

Guided ion-beam studies of the reactions of Con+ (n=2–20) with O2: Cobalt cluster-oxide and -dioxide bond energies

Guided ion-beam studies of the reactions of Con+ (n=2–20) with O2: Cobalt cluster-oxide and -dioxide bond energies

Size-Specific, Dissociative Activation of Carbon Dioxide by Cobalt Cluster Anions

Ab Initio Study of Structure and Magnetism of Late Transition Metal Oxide TMnOm Clusters (TM = Fe, Co, Ni, n = 1, 2, m = 1–6)

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Ab Initio Study of Structure and Magnetism of Late Transition Metal Oxide TM_nO_m Clusters (TM = Fe, Co, Ni, n = 1, 2, m = 1–6)