Gas phase ion chemistry :

Mestdagh, H.; Morin, Nicole; Rolando, Christian

doi:10.1016/s0040-4039(00)83932-5

Cited by 28 publications

(7 citation statements)

References 27 publications

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“…All experiments were carried out using a VG analytical ZAB‐HSQ hybrid mass spectrometer of BEqQ geometry, which has previously been described in detail 29. Complexes were generated by the CI‐FAB method 30–36. The CI‐FAB source was built from VG Analytical EI/CI and FAB ion source parts with the same modifications described by Freas et al32 A copper foil of high purity has replaced the conventional FAB probe tip.…”

Section: Methodsmentioning

confidence: 99%

Unimolecular Reactivity of Strong Metal–Cation Complexes in the Gas Phase: Ethylenediamine–Cu⁺

Alcamı́

Luna

Mó

et al. 2004

Chemistry A European J

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The gas-phase reactions between ethylenediamine (en) and Cu(+) have been investigated by means of mass spectrometry techniques. The MIKE spectrum reveals that the adduct ions [Cu(+)(H(2)NCH(2)CH(2)NH(2))] spontaneously decompose by loosing H(2), NH(3) and HCu, the loss of hydrogen being clearly dominant. The spectra of the fully C-deuterated species show the loss of HD, NH(3) and CuD but no losses of H(2), D(2), NH(2)D, NHD(2), ND(3) or CuH are observed. This clearly excludes hydrogen exchange between the methylene and the amino groups as possible mechanisms for the loss of ammonia. Conversely, methylene hydrogen atoms are clearly involved in the loss of molecular hydrogen. The structures and bonding characteristics of the Cu(+)(en) complexes as well as the different stationary points of the corresponding potential energy surface (PES) have been theoretically studied by DFT calculations carried out at B3LYP/6-311+G(2df,2p)//B3LYP/6-311G(d,p) level. Based on the topology of this PES the most plausible mechanisms for the aforementioned unimolecular fragmentations are proposed. Our theoretical estimates indicate that Cu(+) strongly binds to en, by forming a chelated structure in which Cu(+) is bridging between both amino groups. The binding energy is quite high (84 kcal mol(-1)), but also the products of the unimolecular decomposition of Cu(+)(en) complexes are strongly bound Cu(+)-complexes.

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Section: Methodsmentioning

confidence: 99%

Unimolecular Reactivity of Strong Metal–Cation Complexes in the Gas Phase: Ethylenediamine–Cu⁺

Alcamı́

Luna

Mó

et al. 2004

Chemistry A European J

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“…Mass spectrometry, such as ion cyclotron resonance (lCR) (2). especially the more recently developed Fourier transform ICR (3), ion beam experiments [4J, quadrupole [5], and sector tandem mass spectrometry [6), has been applied to the gas-phase metalion chemistry [7].…”

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confidence: 99%

Formation and fragmentation of gas-phase ion-molecule complexes of transition-metal ions with organic molecules containing two functional groups

Chen

Miller

1992

J. Am. Soc. Mass Spectrom.

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A mass spectrometer fast atom bombardment source has been used to synthesize, in the gas phase, the ion-molecule complexes of transition-metal ions (Ni(+), CO(+), Fe(+), and Mn(+)) with α- or β-unsaturated alkenenitriles, RCH=CHCN (R=H, CH3, and C2H5) and CH3CH=CHCH2CN, and 2-methyl glutaronitrile. The metastable ion fragmentations of the complexes are monitored in the first held-free region by B/E linked scans. Surprisingly, an intense HCN loss via an intermediate (C n H2n -2)-M(+)-(HCN) is observed for the complexes of the alkenenitriles. The metal ions significantly affect the fragmentation processes. The coexistence of both end-on and side-on coordination modes is suggested to explain the fragmentations.

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“…gas poase nas oeen an ..L 'active research area for the last decade [1]. Ion cyclotron resonance (ICR) [2], especially the more recently developed Fourier-transform ICR [3], ion beam experiments [4], quadrupole [5] and tandem mass spectrometry [6] have been applied to this held. The latter appears most useful, since it allows the organometallic ions of interest to be isolated and further characterized by collisional activation.…”

mentioning

confidence: 99%

Ion-molecule reaction of alkanenitriles and transition-metal ions in the gas phase: A study on fragmentation mechanism of the adducts

Chen

Miller

1991

J. Am. Soc. Mass Spectrom.

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Gas-phase ion-molecule reactions between transition-metal ions (Mn +, Fe+, Co+, Ni +) and propionitri1e and acetonitrile were investigated. Ion-molecule adducts were prepared in a modified fast atom bombardment source and their metastable and collision-induced fragmentations, occurring in the frrst held-free region of an E/B configuration instrument, were studied by means of B/E linked scans. The experimental data suggest a coexistence of both "end-on" and "side-on" coordination modes; the former undergoes ligand detachment alone, whereas the latter loses methyl and ethyl radicals by insertion of M+ into organic substrates and further produces ethylene via a l3-hydrogen transfer. An order for the bonding energy of RCN-M+ is also suggested: RCN-Ni+> RCN-Co+> RCN-Fe+> RCNMn+.

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Gas phase ion chemistry :

Cited by 28 publications

References 27 publications

Unimolecular Reactivity of Strong Metal–Cation Complexes in the Gas Phase: Ethylenediamine–Cu⁺

Unimolecular Reactivity of Strong Metal–Cation Complexes in the Gas Phase: Ethylenediamine–Cu⁺

Formation and fragmentation of gas-phase ion-molecule complexes of transition-metal ions with organic molecules containing two functional groups

Ion-molecule reaction of alkanenitriles and transition-metal ions in the gas phase: A study on fragmentation mechanism of the adducts

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Gas phase ion chemistry :

Cited by 28 publications

References 27 publications

Unimolecular Reactivity of Strong Metal–Cation Complexes in the Gas Phase: Ethylenediamine–Cu+

Unimolecular Reactivity of Strong Metal–Cation Complexes in the Gas Phase: Ethylenediamine–Cu+

Formation and fragmentation of gas-phase ion-molecule complexes of transition-metal ions with organic molecules containing two functional groups

Ion-molecule reaction of alkanenitriles and transition-metal ions in the gas phase: A study on fragmentation mechanism of the adducts

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Unimolecular Reactivity of Strong Metal–Cation Complexes in the Gas Phase: Ethylenediamine–Cu⁺

Unimolecular Reactivity of Strong Metal–Cation Complexes in the Gas Phase: Ethylenediamine–Cu⁺