Polymerization of Ionized Acetylene Clusters into Covalent Bonded Ions:  Evidence for the Formation of Benzene Radical Cation

Momoh, Paul O.; Abrash, Samuel A.; Mabrouki, Ridha; El‐Shall, M. Samy

doi:10.1021/ja064405g

Cited by 48 publications

(91 citation statements)

References 15 publications

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Section: 14mentioning

confidence: 99%

“…[19][20][21][22][23][24][25] Ion mobility provides an accurate method for determining collision cross sections of mass-selected ions in a buffer gas. [19][20][21][22][23][24][25] The motion of the ion through a buffer gas under the influence of a weak electric field depends on the ion's average collision cross section (Ω, Å 2 ) with the buffer gas, which depends on the geometric shape of the ion. [19][20][21][22][23][24][25] Theoretical calculations of possible structural candidates of the mass-selected ions are then used to compute angle-averaged Ω's at different temperatures for comparison with the measured ones.…”

Section: 14mentioning

confidence: 99%

“…[19][20][21][22][23][24][25] The motion of the ion through a buffer gas under the influence of a weak electric field depends on the ion's average collision cross section (Ω, Å 2 ) with the buffer gas, which depends on the geometric shape of the ion. [19][20][21][22][23][24][25] Theoretical calculations of possible structural candidates of the mass-selected ions are then used to compute angle-averaged Ω's at different temperatures for comparison with the measured ones. [19][20][21][22][23][24][25] The experiments were performed using the VCU massselected ion mobility spectrometer (schematic is given in Figure S1, supplementary material).…”

Section: 14mentioning

confidence: 99%

“…[19][20][21][22][23][24][25] Theoretical calculations of possible structural candidates of the mass-selected ions are then used to compute angle-averaged Ω's at different temperatures for comparison with the measured ones. [19][20][21][22][23][24][25] The experiments were performed using the VCU massselected ion mobility spectrometer (schematic is given in Figure S1, supplementary material). 26 The details of the instrument can be found in several publications [20][21][22] and only a brief description of the experimental procedure is given here.…”

Section: 14mentioning

confidence: 99%

“…[19][20][21][22][23][24][25] The experiments were performed using the VCU massselected ion mobility spectrometer (schematic is given in Figure S1, supplementary material). 26 The details of the instrument can be found in several publications [20][21][22] and only a brief description of the experimental procedure is given here. The essential elements of the apparatus are jet and beam chambers coupled to an electron impact (EI) ionization source, a quadrupole mass filter, a drift cell, and a second quadrupole mass spectrometer.…”

Section: 14mentioning

confidence: 99%

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Communication: Ion mobility of the radical cation dimers: (Naphthalene)2+• and naphthalene+•-benzene: Evidence for stacked sandwich and T-shape structures

Platt

Attah

Aziz

et al. 2015

The Journal of Chemical Physics

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Dimer radical cations of aromatic and polycyclic aromatic molecules are good model systems for a fundamental understanding of photoconductivity and ferromagnetism in organic materials which depend on the degree of charge delocalization. The structures of the dimer radical cations are difficult to determine theoretically since the potential energy surface is often very flat with multiple shallow minima representing two major classes of isomers adopting the stacked parallel or the T-shape structure. We present experimental results, based on mass-selected ion mobility measurements, on the gas phase structures of the naphthalene+⋅ ⋅ naphthalene homodimer and the naphthalene+⋅ ⋅ benzene heterodimer radical cations at different temperatures. Ion mobility studies reveal a persistence of the stacked parallel structure of the naphthalene+⋅ ⋅ naphthalene homodimer in the temperature range 230-300 K. On the other hand, the results reveal that the naphthalene+⋅ ⋅ benzene heterodimer is able to exhibit both the stacked parallel and T-shape structural isomers depending on the experimental conditions. Exploitation of the unique structural motifs among charged homo- and heteroaromatic–aromatic interactions may lead to new opportunities for molecular design and recognition involving charged aromatic systems.

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Section: 14mentioning

confidence: 99%

Section: 14mentioning

confidence: 99%

Section: 14mentioning

confidence: 99%

Section: 14mentioning

confidence: 99%

Section: 14mentioning

confidence: 99%

See 3 more Smart Citations

Communication: Ion mobility of the radical cation dimers: (Naphthalene)2+• and naphthalene+•-benzene: Evidence for stacked sandwich and T-shape structures

Platt

Attah

Aziz

et al. 2015

The Journal of Chemical Physics

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Molecular Formation upon Ionization of van der Waals Clusters and Implication to Astrochemistry

Stein

Jose

2020

Israel Journal of Chemistry

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The presence and formation of a large variety of organic molecules in the interstellar medium is evident from both astronomical data of absorption and emission bands at different regions of the spectrum. Specifically, polycyclic aromatic hydrocarbons (PAHs) are ubiquitous in the interstellar medium (ISM). The mechanism for their formation in ISM's low temperature environment is, as of yet, a mystery nonetheless. Understanding the mechanism of formation of complex molecules such as PAHs and nitrogen-based PAHs (PANH) in the ISM is a long-standing challenge which has been drawing a growing attention for the past several decades. In this review we wish to emphasize two things: Firstly, the essential role quantum chemistry can play in the study of astrochemical reactions. Secondly, we wish to demonstrate that said variety of possibilities for chemical reaction, starting upon ionization of van der Waals clusters. The potential for different chemical reactions to occur within a cluster environment arises from the fact that such processes can take place at low temperatures as the systems pose large amounts of energy upon ionization. Moreover, the spectator molecules in the cluster can provide a dissipation route for energy by detachment from the cluster, thus the system can stabilize efficiently even at low densities. The spectator molecules can also change the potential energy surface, by which it will pose a catalytic effect for certain reactions. We will demonstrate this by presenting Ab Initio Molecular Dynamic results on ionization of small acetylene clusters.

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The Escape Probability of Some Ions from Mars and Titan Ionospheres

Falcinelli

Rosi

Candori

et al. 2014

Computational Science and Its Applications – ICCSA 2014

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Polymerization of Ionized Acetylene Clusters into Covalent Bonded Ions: Evidence for the Formation of Benzene Radical Cation

Cited by 48 publications

References 15 publications

Communication: Ion mobility of the radical cation dimers: (Naphthalene)2+• and naphthalene+•-benzene: Evidence for stacked sandwich and T-shape structures

Communication: Ion mobility of the radical cation dimers: (Naphthalene)2+• and naphthalene+•-benzene: Evidence for stacked sandwich and T-shape structures

Molecular Formation upon Ionization of van der Waals Clusters and Implication to Astrochemistry

The Escape Probability of Some Ions from Mars and Titan Ionospheres

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