Neutralization-reionization mass spectrometry applied to organometallic and coordination chemistry (update: 1994-1998)

Zagorevskii, Dmitri V.; Holmes, John L.

doi:10.1002/(sici)1098-2787(1999)18:2<87::aid-mas1>3.0.co;2-j

Cited by 83 publications

(30 citation statements)

References 101 publications

(92 reference statements)

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“…Product anions resulting from CID processes were recorded by scanning E. The − CR + spectrum37–39 was recorded using single collision conditions in collision cell 1 (O 2 , 80% transmission of main beam). Neutralisation of anions ( − NR + )40–44 was effected by collisional electron detachment using O 2 (at 80% transmittance of the main beam) as the collision gas in both collision cells.…”

Section: Methodsmentioning

confidence: 99%

The one‐electron oxidation of [HCCOCC]⁻ to form neutral HCCOCC, and the subsequent rearrangement of HCCOCC to form HCCCCO. An experimental and computational study

Fitzgerald

Bowie

2006

Rapid Comm Mass Spectrometry

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The singlet anion [HCCOCC]- may be made in the source of a VG ZAB 2HF mass spectrometer by the reaction between F- (from SF6) and H-C[triple chemical bond]C-O-C[triple chemical bond]C-TMS. Vertical (Franck-Condon) one-electron oxidation of [HCCOCC]- in the first collision cell produces doublet neutral HCCOCC. A combination of experiment and molecular modelling [at the CCSD(T)/aug-cc-pVDZ//B3LYP/6-31 + G(d) level of theory] provides data which are consistent with some HCCOCC neutrals being stable for the duration of the neutralisation reionisation experiment, while others rearrange to form the decomposing doublet neutral HCCCCO.

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Section: Methodsmentioning

confidence: 99%

The one‐electron oxidation of [HCCOCC]⁻ to form neutral HCCOCC, and the subsequent rearrangement of HCCOCC to form HCCCCO. An experimental and computational study

Fitzgerald

Bowie

2006

Rapid Comm Mass Spectrometry

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“…The NRMS represents a ''non-chemical'' way of generating neutral species by the femtosecond electron transfer to or from precursor gas phase ions during the high-energy collision with suitable atom or molecule and has already proved to be a powerful tool for studies of elusive organometallic compounds [14,15]. For the NRMS experiment they used ''titanocenium'' C 10 H 10 Ti + ion precursors prepared by the dissociative electron ionization of bis(g 5 -cyclopentadienyl)titanium dichloride and diiodide.…”

Section: Introductionmentioning

confidence: 99%

Bis(η5-cyclopentadienyl)titanium(II) in the gas phase:

Polášek

Kubišta

2007

Journal of Organometallic Chemistry

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“…This neutralization-reionization mass spectrometric technique 26,27 has been pioneered by John Holmes and coworkers 28 and has been used for the generation of a variety of transient species, as reviewed. [29][30][31]…”

Section: Introductionmentioning

confidence: 99%

Electron-Rich Radicals by Neutralization—Reionization Mass Spectrometry. Generation, Dissociations and Energetics of the Hydrogen Atom Adduct to Acetamide

Tam

Syrstad

Chen

et al. 2004

Eur J Mass Spectrom (Chichester)

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Protonated acetamide exists as two planar conformers, the more stable anti-form (anti-1(+)) and the syn-form (syn-1(+)), DeltaG(degree) (298) (anti-->syn) = 10.8 kJ mol(-1). Collisional neutralization of 1(+) produces 1-hydroxy-1-amino-1-ethyl radicals (anti-1 and syn-1) which in part survive for 3.7 micros. The major dissociation of 1 is loss of the hydroxyl hydrogen atom (approximately 95%) which is accompanied by loss of one of the methyl hydrogen atoms (approximately 3%) and loss of the methyl group (approximately 2%). The most favorable dissociation of the OH bond is calculated to be only 34 kJ mol(1) endothermic but requires 88 kJ mol(-1) in the transition state. Other dissociations of 1, e.g., loss of one of the amide hydrogens, methyl hydrogens, and loss of ammonia are calculated to proceed through higher- energy transition states and are not kinetically competitive if proceeding from the ground doublet electronic state of 1. The unimolecular dissociation of 1 following collisional electron transfer is promoted by large Franck-Condon effects that result in 8090 kJ mol(-1) vibrational excitation in the radicals. Radicals 1 are calculated to exoergically abstract hydrogen atoms from acetamide in water, but not in the gas phase. The different reactivity is due to solvent effects that favor the products, (.)CH(2)CONH(2) and CH(3)CH(OH)NH(2), over the reactants.

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Neutralization-reionization mass spectrometry applied to organometallic and coordination chemistry (update: 1994-1998)

Cited by 83 publications

References 101 publications

The one‐electron oxidation of [HCCOCC]⁻ to form neutral HCCOCC, and the subsequent rearrangement of HCCOCC to form HCCCCO. An experimental and computational study

The one‐electron oxidation of [HCCOCC]⁻ to form neutral HCCOCC, and the subsequent rearrangement of HCCOCC to form HCCCCO. An experimental and computational study

Bis(η5-cyclopentadienyl)titanium(II) in the gas phase:

Electron-Rich Radicals by Neutralization—Reionization Mass Spectrometry. Generation, Dissociations and Energetics of the Hydrogen Atom Adduct to Acetamide

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Neutralization-reionization mass spectrometry applied to organometallic and coordination chemistry (update: 1994-1998)

Cited by 83 publications

References 101 publications

The one‐electron oxidation of [HCCOCC]− to form neutral HCCOCC, and the subsequent rearrangement of HCCOCC to form HCCCCO. An experimental and computational study

The one‐electron oxidation of [HCCOCC]− to form neutral HCCOCC, and the subsequent rearrangement of HCCOCC to form HCCCCO. An experimental and computational study

Bis(η5-cyclopentadienyl)titanium(II) in the gas phase:

Electron-Rich Radicals by Neutralization—Reionization Mass Spectrometry. Generation, Dissociations and Energetics of the Hydrogen Atom Adduct to Acetamide

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The one‐electron oxidation of [HCCOCC]⁻ to form neutral HCCOCC, and the subsequent rearrangement of HCCOCC to form HCCCCO. An experimental and computational study

The one‐electron oxidation of [HCCOCC]⁻ to form neutral HCCOCC, and the subsequent rearrangement of HCCOCC to form HCCCCO. An experimental and computational study