Bonding energies in association ions of aromatic compounds. Correlations with ionization energies

Meot‐Ner, Michael; Hamlet, Peter; Hunter, Edward P. L.; Field, F. H.

doi:10.1021/ja00485a034

Cited by 117 publications

(62 citation statements)

References 3 publications

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“…~hermochkmical determinations yielded a binding energy for this "sandwich" shaped complex of 17 kcal mol-I, which is -6 kcal mol-' greater than that calculated for a purely electrostatic interaction (7). The observation that the binding energy for mixed dimers, e.g.…”

Section: Introductionmentioning

confidence: 74%

“…We have made a similar observation at benzene pressures of -50 mTorr. However, Meot-Ner et al (7) estimate a recombination energy of 8.55 eV for (C6H6),+ so that reaction [7] is endothermic by -6kcal (IP(C6H5CH3) = 8.82 ev).…”

Section: Reaction Productsmentioning

confidence: 99%

“…At the same time the possibility arises for competition between reaction [8] and the charge transfer reaction analogous to reaction [7]. The difference between the thresholds for monomer and dimer cations is large for benzene, less for toluene, and not distinguishable from zero for m-fluorotoluene.…”

Section: Reaction Productsmentioning

confidence: 99%

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The formation and reactions of aromatic dimer cations in a high pressure photoionization source

Stone¹,

Lin²

1980

Can. J. Chem.

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Aromatic dimer cations (M2+) have been generated for a series of aromatic compounds in a high pressure photoionization source. Relative third order rate constants for formation of M2+ have been obtained for benzene (1.0), benzene-d6 (2.7), toluene (0.8), o-xylene (1.5), p-xylene (0.7), fluorobenzene (0.3), m-fluorotoluene (0.5), m-chlorotoluene (0.7), p-chlorotoluene (0.5), and o-methoxytoluene (0.4). These values are consistent with and supplement previous data for such systems. Reagent ion monitoring has been used to determine the relative rates of reaction of both M2+ and the monomer ions, M+, with a series of (mainly) aromatic compounds (X). Reaction of C6H6+ is by charge transfer to compounds of lower ionization potential than C6H6. (C6H6)2+ reacts only by charge transfer, if the ionization potential of X is more than 0.5 eV lower than that of benzene. When the difference is smaller, mixed dimer cations are observed which are probably formed in a switching reaction (C6H6)2+ + X → (C6H6•X)+ + C6H6.

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Section: Introductionmentioning

confidence: 74%

Section: Reaction Productsmentioning

confidence: 99%

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The formation and reactions of aromatic dimer cations in a high pressure photoionization source

Stone¹,

Lin²

1980

Can. J. Chem.

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“…The use of CS2/N2 mixtures to produce CS2+' as a low energy charge exchange reagent has been reported previously (24,25).…”

Section: Cs2+'mentioning

confidence: 90%

Charge exchange mass spectra of some C₅H₁₀ isomers

Li¹,

Herman²,

Harrison³

1981

Can. J. Chem.

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Reagent gas systems are described for use in a single-source chemical ionization mass spectrometer which permit charge exchange mass spectra to be obtained using CS2+•(∼10.2 eV), COS+•(11.2 eV), Xe+•(∼12.5 eV), CO+•(14.0 eV), N2+•(15.3 eV), and Ar+• (15.8 eV) (recombination energies in brackets) as the major reactant ions. Using these reagent gas systems the charge exchange mass spectra of cyclopentane, 1-pentene, 3-methyl-l-butene, 2-methyl-l-butene, 2-pentene, and 2-methyl-2-butene have been obtained. It is shown that these spectra can be used to construct breakdown graphs which adequately depict the relative energy dependences of the fragmentation pathways and rationalize the 70 eV electron impact mass spectra.

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“…Since the AIEs of M and S are closer together (or identical for self-dimers M 2 ) than for type II complexes, the ionization must be viewed as removal of electronic charge from the HOMOs of both M and S. The ion ground state involves stabilizing charge-resonance contributions of the type M + · S ↔ M · S + , which are strongest for symmetric self-dimers (M·M) + . 13 Charge-resonance stabilization also remains important in heterodimer ions. The most stable ionic geometry is typically a π-stacked structure which maximizes the charge-resonance interactions.…”

Section: Type III Complexesmentioning

confidence: 99%

Experimental and Theoretical Determination of Dissociation Energies of Dispersion-Dominated Aromatic Molecular Complexes

et al. 2016

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The dissociation energy (D 0 ) of an isolated and cold molecular complex in the gas-phase is a fundamental measure of the strength of the intermolecular interactions between its constituent moieties. Accurate D 0 values are important for the understanding of intermolecular bonding, for benchmarking high-level theoretical calculations and for the parametrization of force-field models used in fields ranging from crystallography to biochemistry. We re- 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59

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Bonding energies in association ions of aromatic compounds. Correlations with ionization energies

Cited by 117 publications

References 3 publications

The formation and reactions of aromatic dimer cations in a high pressure photoionization source

The formation and reactions of aromatic dimer cations in a high pressure photoionization source

Charge exchange mass spectra of some C₅H₁₀ isomers

Experimental and Theoretical Determination of Dissociation Energies of Dispersion-Dominated Aromatic Molecular Complexes

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Bonding energies in association ions of aromatic compounds. Correlations with ionization energies

Cited by 117 publications

References 3 publications

The formation and reactions of aromatic dimer cations in a high pressure photoionization source

The formation and reactions of aromatic dimer cations in a high pressure photoionization source

Charge exchange mass spectra of some C5H10 isomers

Experimental and Theoretical Determination of Dissociation Energies of Dispersion-Dominated Aromatic Molecular Complexes

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Charge exchange mass spectra of some C₅H₁₀ isomers