A crossed-molecular beam study on collisional ionization dynamics of acetonitrile and benzene molecules with He*(23S) metastable atoms

Horio, Takeshi; Maruyama, Ryo; Kishimoto, Naoki; Ohno, Koichi

doi:10.1016/j.cplett.2003.12.005

Cited by 9 publications

(6 citation statements)

References 30 publications

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“…The slope values (m ) -0.34 to -0.45) obtained from the collision-energy dependence of the Penning π-ionization cross sections of biphenyl are similar to those previously inferred for the π levels of benzene (m ) -0.32 or -0.34). 62,63,69 In agreement with these observations, strongly attractive potential wells are found from our potential calculations (Figure 6) when the Li(2 2 S) model probe approaches the π-orbital region of biphenyl along axes that are perpendicular to the plane of one of the two phenyl rings. Among these model interaction curves, the deepest well is found when the approach follows an axis that intersects the center of one of these rings.…”

Section: A Adc(3) Analysis Of Thesupporting

confidence: 87%

“…For the sake of comparison, it is worth recalling that slope parameters (m) ranging from +0.10 to -0.02 have been previously inferred from the CEDPICS of σ bands of benzene in effusive condition. 62,63,69 In contrast, the present 2D-PIES measurements on biphenyl yield CEDPICS slopes m around -0.10 for σ bands (bands 5,6 and 11,12). Since the ADC(3) calculations demonstrate that the contribution of shake-up lines in the π-ionization band system is overall extremely limited at binding energies larger than 13 eV, the more strongly negative collision-energy dependence of σ cross sections can be ascribed to a stronger deflection of He* trajectories by enhanced attractive interactions at larger distances around the phenyl groups.…”

Section: A Adc(3) Analysis Of Thecontrasting

confidence: 85%

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Probing the Shape and Stereochemistry of Molecular Orbitals in Locally Flexible Aromatic Chains: A Penning Ionization Electron Spectroscopy and Green's Function Study of the Electronic Structure of Biphenyl

Kishimoto¹,

Hagihara²,

Ohno³

et al. 2005

J. Phys. Chem. A

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We report on the results of an exhaustive study of the interplay between the valence electronic structure, the topology and reactivity of orbitals, and the molecular structure of biphenyl by means of Penning ionization electron spectroscopy in the gas phase upon collision with metastable He*(2(3)S) atoms. The measurements are compared with one-particle Green's function calculations of one-electron and shake-up valence ionization spectra employing the third-order algebraic diagrammatic construction scheme [ADC(3)]. Penning ionization intensities are also analyzed by means of the exterior electron-density model and comparison with photoelectron spectra: in contrast with the lines originating from sigma orbitals, ionization lines belonging to the pi-band system have large Penning ionization cross sections due to their greater extent outside the molecular van der Waals surface. The involved chemi-ionization processes are further experimentally investigated using collision-energy-resolved Penning ionization electron spectroscopy. The cross sections of pi-ionization bands exhibit a markedly negative collision-energy dependence and indicate that the interaction potential that prevails between the molecule and the He*(2(3)S) atom is strongly attractive in the pi-orbital region. On the other hand, the partial ionization cross sections pertaining to sigma-ionization channels are characterized by more limited collision-energy dependencies, as a consequence of rather repulsive interactions within the sigma-orbital region. A comparison of ADC(3) simulations with the Penning ionization electron spectra and UV photoelectron spectra measured by Kubota et al. [Chem. Phys. Lett. 1980, 74, 409] on thin films of biphenyl deposited at 170 and 109 K on copper demonstrates that biphenyl molecules lying at the surface of polycrystalline layers adopt predominantly a planar configuration, whereas within an amorphous sample most molecules have twisted structures similar to those prevailing in the gas phase.

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Section: A Adc(3) Analysis Of Thesupporting

confidence: 87%

Section: A Adc(3) Analysis Of Thecontrasting

confidence: 85%

Probing the Shape and Stereochemistry of Molecular Orbitals in Locally Flexible Aromatic Chains: A Penning Ionization Electron Spectroscopy and Green's Function Study of the Electronic Structure of Biphenyl

Kishimoto¹,

Hagihara²,

Ohno³

et al. 2005

J. Phys. Chem. A

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“…Recently the Penning ionization of hydrocarbon molecules by metastable helium atoms has been studied in the group of K. Ohno, 49 where the molecules are in seeded supersonic Fig. 13 The relative angular dependence of the ''Steric opacity'' (a measure of the dependence of reaction probability from direction of attack) for the Ar*( 3 P) þ CH 3 Cl Penning ionization reaction, leading to Ar ( 1 S) þ CH 3 Cl 1 þ e À .…”

Section: A Experimentsmentioning

confidence: 99%

Orienting and aligning molecules for stereochemistry and photodynamics

Aquilanti

Bartolomei

Pirani

et al. 2005

Phys. Chem. Chem. Phys.

124

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Production, characterization and control of polarization states of molecules (specifically, alignment and/or orientation) are of importance for investigating in detail the stereodynamics of elementary processes involving elastic, inelastic and reactive events and also to prepare targets for selective photodynamical investigations. The focus here is on those molecular beam techniques which show perspectives in the applications offering appealing features for "duty cycle" and intensity characteristics. After a review of the basic experimental advances, mainly obtained in the last ten years, the attention will be addressed to recent studies carried out on the collisional alignment of hydrocarbon molecules and on orientation of symmetric top molecules by exploiting honeycomb hexapole fields. The first case is a prototype of "natural" polarization techniques, the second one of those where polarization is "forced" by external fields.

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“…[12] Due to the importance of CH3CN in the various environments outlined above, many studies of its chemical and physical processes have been undertaken. These studies include work on the absorption of VUV photons, [13][14][15][16][17][18] interaction with metastable He, [19][20][21][22] electron ionization [23][24][25][26], modelling of the dissociation and rearrangement of CH3CN + [23,24,27] and dissociative ionization in femtosecond laser fields. [28].…”

Section: Introductionmentioning

confidence: 99%

Ionization of acetonitrile

Parkes

Douglas

Price

2019

International Journal of Mass Spectrometry

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The ionization of acetonitrile has been studied using both electron and photon ionization combined with coincidence detection techniques. Relative partial ionization cross sections and relative precursor-specific partial ionization cross-sections are determined for all the cations formed from single, double and triple electron ionization of CH3CN from 30-200 eV electron energy. These cross sections characterize, distinguish and quantify the positive ions formed from these levels of ionization over the electron energy range investigated. To complement these electron ionization studies, relative ion yields for the formation of single ions (both monocations and dications) and monocation cation pairs have been measured following photoionization of CH3CN from 20-42 eV using synchrotron radiation. There is a strong similarity between the photoionization data and electron ionization data.

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A crossed-molecular beam study on collisional ionization dynamics of acetonitrile and benzene molecules with He*(23S) metastable atoms

Cited by 9 publications

References 30 publications

Probing the Shape and Stereochemistry of Molecular Orbitals in Locally Flexible Aromatic Chains: A Penning Ionization Electron Spectroscopy and Green's Function Study of the Electronic Structure of Biphenyl

Probing the Shape and Stereochemistry of Molecular Orbitals in Locally Flexible Aromatic Chains: A Penning Ionization Electron Spectroscopy and Green's Function Study of the Electronic Structure of Biphenyl

Orienting and aligning molecules for stereochemistry and photodynamics

Ionization of acetonitrile

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