Characterization of complexes of butanes with transition-metal atomic ions in the gas phase

Freas, R. B.; Ridge, D. P.

doi:10.1021/ja00543a054

Cited by 104 publications

(31 citation statements)

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“…18 This trend is also observed in the ion-molecule reactions studied here. For example, while Fe(o-benzyne) reacts with allyl iodide and isopropyl iodide, 2,19 attachment of benzene to Fe(o-benzyne) makes the metal center unreactive to these reagents.…”

Section: Discussionsupporting

confidence: 80%

A gas-phase study of ligand effects on the reactivity of organometallic distonic ion Fe(p-benzyne)+˙

Chen

Poehlein

et al. 1999

Rapid Commun. Mass Spectrom.

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Section: Discussionsupporting

confidence: 80%

A gas-phase study of ligand effects on the reactivity of organometallic distonic ion Fe(p-benzyne)+˙

Chen

Poehlein

et al. 1999

Rapid Commun. Mass Spectrom.

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“…in Table III are quoted from Kebarle et al 4 For the clusters with = 4-6 (i.e., M5H+-M7H+ in Table III) the quoted AH and AS values may be somewhat too large because of thermal dissociation problems that were demonstrated later for other measurements on large clusters. 13 The data for CH30H2+-nH20 are from this laboratory,14 and the data for CH30""'«CH30H and CH30"*nH20 and the other multicomponent clusters are from the present work.…”

Section: Resultsmentioning

confidence: 79%

Multicomponent cluster ions. 2. Comparative stabilities of cationic and anionic hydrogen-bonded networks. Mixed clusters of water-methanol

Meot‐Ner¹

1986

J. Am. Chem. Soc.

103

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“…Many theoretical works on methane and CH activation have been reported by Hoffmann,12 Morokuma,13 Goddard,14 Siegbahn,15 Ziegler,16 Sakaki,17 Hall,18 and Cundari19 groups. Early studies were mainly focused on the reactivity of bare metal ions, whereas an increasing number of reports appeared concerning the chemistry of metal ions bearing one or several ligands 20–39…”

Section: Introductionmentioning

confidence: 99%

Methane activation by chromium oxide cations in the gas phase: A theoretical study

2005

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Density Functional Theory, in its B3LYP formulation, was used to explore quantitative details of the potential energy hypersurfaces for the C-H bond activation reaction of methane by chromium dioxide cation. Both doublet ground and quartet excited states of the cation were considered, and all the minima and transition states localized along the paths leading to the formation of the experimentally observed products were characterized. All the calculated paths involve spin inversions that decrease the barrier heights of the involved transition states but do not play a significant role. Reaction pathways were also studied employing the nonhybrid BP86 functional, the reparametrized B3LYP* functional, and the CCSD(T) approach. Because other examples in the literature indicate that sequential ligation enhances the reactivity of bare transition metals cations, the state-selective reactivity of the chromium monoxide cation with respect to methane was also investigated and compared with that of the bare cation.

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Characterization of complexes of butanes with transition-metal atomic ions in the gas phase

Cited by 104 publications

References 0 publications

A gas-phase study of ligand effects on the reactivity of organometallic distonic ion Fe(p-benzyne)+˙

A gas-phase study of ligand effects on the reactivity of organometallic distonic ion Fe(p-benzyne)+˙

Multicomponent cluster ions. 2. Comparative stabilities of cationic and anionic hydrogen-bonded networks. Mixed clusters of water-methanol

Methane activation by chromium oxide cations in the gas phase: A theoretical study

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