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Artykuły w czasopismach na temat „Molecular ionization”

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Autor: Grafiati

Data publikacji: 4 czerwca 2021

Data aktualizacji: 20 lutego 2023

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1

Afaneh, Feras, i Horst Schmidt-Böcking. "Imaging of strong field dissociative single and double ionization channels of N2O". International Journal of Modern Physics B 31, nr 29 (7.11.2017): 1750215. http://dx.doi.org/10.1142/s0217979217502150.

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In this paper, we study single and double ionizations of N2O in a short elliptically polarized 800 nm laser pulse using the COLTRIMS technique. The molecular-frame photoelectron angular distribution and the ion sum-momentum distribution of single and double ionizations of N2O molecules are reported for the single ionization dissociative channel NO[Formula: see text] + N and the double ionization dissociative channel NO[Formula: see text] + N[Formula: see text]. The ionizations of multiple orbitals for the two studied dissociative channels were identified via studying the orientation dependent ionization rates for their KERs. The results show that the shape of the ionizing orbitals governs the single and double ionization processes of N2O.

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2

Bartnik, Andrzej, Wojciech Skrzeczanowski, Henryk Fiedorowicz, Przemysław Wachulak, Tomasz Fok, Łukasz Węgrzyński i Roman Jarocki. "Photoionized plasmas induced in molecular gases by extreme ultraviolet and X-ray pulses". EPJ Web of Conferences 167 (2018): 03003. http://dx.doi.org/10.1051/epjconf/201816703003.

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In this work a laser-produced plasma (LPP) source was used to create low temperature plasmas. An extreme ultraviolet and soft X-ray (EUV/SXR) radiation pulse was used for ionization of molecular gases, injected into a vacuum chamber synchronously with the EUV/SXR pulse. Energies of photons exceeding 100 eV were sufficient for dissociative ionization, ionization of atoms or even ions. The resulting photoelectrons had also enough energy for further ionizations or excitations. Time resolved UV/VIS spectra, corresponding to single charged ions, molecules and molecular ions, were recorded. For spectral lines, corresponding to radiative transitions in F II and S II ions, electron temperature was calculated based on a Boltzmann plot method. Numerical simulations of the molecular spectra were fitted to the experimental spectra allowing for determination of vibrational and rotational temperatures.

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3

Fowe, Emmanuel Penka, i André Dieter Bandrauk. "Nonlinear time-dependent density functional theory studies of the ionization of CO2 by ultrashort intense laser pulses". Canadian Journal of Chemistry 87, nr 7 (lipiec 2009): 1081–89. http://dx.doi.org/10.1139/v09-074.

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Time-dependent density functional theory (TDDFT) studies of the ionization of CO2 by intense laser pulses (3.50 × 1014, 1.40 × 1015, 2.99 × 1015, and 1.25 × 1016 W/cm2) at 800 nm (ω = 0.0584 au) are presented in the nonlinear nonpertubative regime. Special emphasis is placed on elucidating molecular orbital orientation and various peak-intensities effects on the ionization processes. The results reveal that molecular orbital ionizations are strongly sensitive to their symmetry and the laser intensities. Most notably, we found that with a proper choice of the laser intensity (3.5 × 1014 W/cm2), the sensitivity is strong enough such that the nature and symmetry of the highest occupied molecular orbital (HOMO) can be directly probed and visualized from the angular dependence of laser-induced ionization. At higher intensities, ionization is found to occur also from inner orbitals, thus complicating the imaging of simple orbitals. A time-dependent electron-localization function (TDELF) is used to get a visual insight on the time evolution process of the electron density.

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4

Muchall, Heidi M., i Nick H. Werstiuk. "Ionization potentials of nitriles — Photoelectron spectra of succinonitrile and glutaronitrile". Canadian Journal of Chemistry 84, nr 9 (1.09.2006): 1124–31. http://dx.doi.org/10.1139/v06-141.

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The He(I) photoelectron spectra of succinonitrile (1) and glutaronitrile (2), both with extensive overlap of ionization bands in the low-energy region, are reported. To assign ionizations, we studied the conformational behaviour and resulting ionization energy dependence of 1 and 2 computationally with the B3LYP/6-31+G(d) model chemistry based on the fact that it reliably reproduces the ionization potentials of eleven mono- and di-nitriles, both saturated and unsaturated. The correlation of proton affinities with observed ionization potentials of 1, 2, and malononitrile establishes the orbital sequence of four C≡N π orbitals followed by two nitrogen lone pair orbitals as the highest occupied molecular orbitals for all three compounds.Key words: photoelectron spectrum, ionization potential, conformational dependence, nitrile, DFT.

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5

Khare, S. P., Surekha Tomar i M. K. Sharma. "Electron impact molecular ionization". Journal of Physics B: Atomic, Molecular and Optical Physics 33, nr 2 (5.01.2000): L59—L61. http://dx.doi.org/10.1088/0953-4075/33/2/101.

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6

Liu, Xianming, i Donald E. Shemansky. "Ionization of Molecular Hydrogen". Astrophysical Journal 614, nr 2 (20.10.2004): 1132–42. http://dx.doi.org/10.1086/423890.

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7

Suchan, Jiří, Jiří Kolafa i Petr Slavíček. "Electron-induced fragmentation of water droplets: Simulation study". Journal of Chemical Physics 156, nr 14 (14.04.2022): 144303. http://dx.doi.org/10.1063/5.0088591.

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The transport of free electrons in a water environment is still poorly understood. We show that additional insight can be brought about by investigating fragmentation patterns of finite-size particles upon electron impact ionization. We have developed a composite protocol aiming to simulate fragmentation of water clusters by electrons with kinetic energies in the range of up to 100 eV. The ionization events for atomistically described molecular clusters are identified by a kinetic Monte Carlo procedure. We subsequently model the fragmentation with classical molecular dynamics simulations, calibrated by non-adiabatic quantum mechanics/molecular mechanics simulations of the ionization process. We consider one-electron ionizations, energy transfer via electronic excitation events, elastic scattering, and also the autoionization events through intermolecular Coulombic decay. The simulations reveal that larger water clusters are often ionized repeatedly, which is the cause of substantial fragmentation. After losing most of its energy, low-energy electrons further contribute to fragmentation by electronic excitations. The simultaneous measurement of cluster size distribution before and after the ionization represents a sensitive measure of the energy transferred into the system by an incident electron.

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8

Danon, Albert, i Aviv Amirav. "Molecular ionization and dissociative ionization at hyperthermal surface scattering". Journal of Physical Chemistry 93, nr 14 (lipiec 1989): 5549–62. http://dx.doi.org/10.1021/j100351a045.

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9

Field, Thomas, i John H. D. Eland. "Light emissions accompanying molecular ionization". Chemical Physics Letters 197, nr 6 (wrzesień 1992): 542–48. http://dx.doi.org/10.1016/0009-2614(92)85813-p.

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10

Kuhnke, K., K. Kern, R. David i G. Comsa. "High efficiency molecular‐beam ionization detector with short ionization region". Review of Scientific Instruments 65, nr 11 (listopad 1994): 3458–65. http://dx.doi.org/10.1063/1.1144523.

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11

Nagy, L., i L. Végh. "Ionization of molecular hydrogen by proton impact. I. Single ionization". Physical Review A 46, nr 1 (1.07.1992): 284–89. http://dx.doi.org/10.1103/physreva.46.284.

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12

Tong, X. M., Z. X. Zhao i C. D. Lin. "Molecular tunnelling ionization and rescattering induced double ionization of H2and D2molecules". Journal of Modern Optics 52, nr 2-3 (20.01.2005): 185–99. http://dx.doi.org/10.1080/09500340410001725568.

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13

Akagi, Hiroshi, Tatsuya Kasajima, Takayuki Kumada, Ryuji Itakura, Atsushi Yokoyama, Hirokazu Hasegawa i Yasuhiro Ohshima. "Isotope-selective ionization utilizing molecular alignment and non-resonant multiphoton ionization". Applied Physics B 109, nr 1 (23.09.2012): 75–80. http://dx.doi.org/10.1007/s00340-012-5222-3.

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14

Campeanu, R. I., J. W. Darewych i A. D. Stauffer. "Positron-impact ionization of molecular hydrogen". Journal of Physics B: Atomic, Molecular and Optical Physics 30, nr 21 (14.11.1997): 5033–41. http://dx.doi.org/10.1088/0953-4075/30/21/034.

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15

Wucher, Andreas. "Molecular ionization probability in cluster-SIMS". Journal of Vacuum Science & Technology B, Nanotechnology and Microelectronics: Materials, Processing, Measurement, and Phenomena 36, nr 3 (maj 2018): 03F123. http://dx.doi.org/10.1116/1.5018305.

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16

Barton Smith, D., i John C. Miller. "Picosecond multiphoton ionization of molecular clusters". Journal of Chemical Physics 90, nr 9 (maj 1989): 5203–5. http://dx.doi.org/10.1063/1.456538.

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17

Dietrich, Peter, Donna T. Strickland, Michel Laberge i Paul B. Corkum. "Molecular reorientation during dissociative multiphoton ionization". Physical Review A 47, nr 3 (1.03.1993): 2305–11. http://dx.doi.org/10.1103/physreva.47.2305.

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18

Siska, P. E. "Molecular-beam studies of Penning ionization". Reviews of Modern Physics 65, nr 2 (1.04.1993): 337–412. http://dx.doi.org/10.1103/revmodphys.65.337.

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19

Luk, Ting S., i Charles K. Rhodes. "Multiphoton dissociative ionization of molecular deuterium". Physical Review A 38, nr 12 (1.12.1988): 6180–84. http://dx.doi.org/10.1103/physreva.38.6180.

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20

Reddish, T. J., i J. M. Feagin. "Photo double ionization of molecular deuterium". Journal of Physics B: Atomic, Molecular and Optical Physics 32, nr 11 (1.01.1999): 2473–86. http://dx.doi.org/10.1088/0953-4075/32/11/301.

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21

Walter, Michael, i John Briggs. "Photo-double ionization of molecular hydrogen". Journal of Physics B: Atomic, Molecular and Optical Physics 32, nr 11 (1.01.1999): 2487–501. http://dx.doi.org/10.1088/0953-4075/32/11/302.

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22

Campeanu, R. I., V. Chis, L. Nagy i A. D. Stauffer. "Positron impact ionization of molecular nitrogen". Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms 221 (lipiec 2004): 21–23. http://dx.doi.org/10.1016/j.nimb.2004.03.025.

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23

Campeanu, R. I., V. Chis, L. Nagy i A. D. Stauffer. "Positron impact ionization of molecular oxygen". Physics Letters A 325, nr 1 (maj 2004): 66–69. http://dx.doi.org/10.1016/j.physleta.2004.03.037.

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24

Bausells, J., i N. Barberán. "Ionization by H+2. Molecular effect". Solid State Communications 54, nr 1 (kwiecień 1985): 71–73. http://dx.doi.org/10.1016/0038-1098(85)91036-1.

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25

Pineda-Urbina, K., R. D. Guerrero, A. Reyes, Z. Gómez-Sandoval i R. Flores-Moreno. "Shape entropy’s response to molecular ionization". Journal of Molecular Modeling 19, nr 4 (6.01.2013): 1677–83. http://dx.doi.org/10.1007/s00894-012-1725-4.

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26

Padovani, M., D. Galli i A. E. Glassgold. "Cosmic-ray ionization of molecular clouds". Astronomy & Astrophysics 501, nr 2 (19.05.2009): 619–31. http://dx.doi.org/10.1051/0004-6361/200911794.

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27

Narayanan, Rahul, Depanjan Sarkar, R. Graham Cooks i Thalappil Pradeep. "Molecular Ionization from Carbon Nanotube Paper". Angewandte Chemie 126, nr 23 (18.03.2014): 6046–50. http://dx.doi.org/10.1002/ange.201311053.

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28

Narayanan, Rahul, Depanjan Sarkar, R. Graham Cooks i Thalappil Pradeep. "Molecular Ionization from Carbon Nanotube Paper". Angewandte Chemie International Edition 53, nr 23 (18.03.2014): 5936–40. http://dx.doi.org/10.1002/anie.201311053.

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29

YU, CHIN-HUI, JEN-SHIANG K. YU i WEI-CHEN CHEN. "THE ESTIMATIONS OF INNER-SHELL IONIZATION ENERGIES FOR ALKYL HALIDES: A DESIGNATED SINGLE-CONFIGURATION CASSCF APPROACH AND ADVANCED CORRECTION". Journal of Theoretical and Computational Chemistry 03, nr 01 (marzec 2004): 103–15. http://dx.doi.org/10.1142/s021963360400088x.

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Based on the Franck–Condon principle, vertical ionization energies regarding the inner-shell valence electrons of alkyl halides and their unsaturated analogues were evaluated with a designated single-configuration complete active self-consistent field (CASSCF) approach as well as the advanced correction with configuration interaction. Excitations corresponding to the elimination of one electron from a specific molecular orbital of these species were calculated by the deviation between the energy of the SCF-optimized neutral structure and of its cation. The freezing over the outer orbitals with identical symmetry was achieved while performing the CASSCF ionization calculation for the inner orbitals. These energy evaluations utilized Pople's 6-31G*, 6-311G** and Roos' ANO basis sets. Computed results agreed well with the experimental data. The characters for the molecular orbitals of corresponding vertical ionizations could be qualitatively assigned by the MOLDEN visualization program.

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30

Hu, Shilin, Jing Chen, Xiaolei Hao, Weidong Li, Li Guo i Shensheng Han. "Effect of two-center interference on molecular ionization in multiphoton ionization regime". Optics Express 25, nr 19 (12.09.2017): 23082. http://dx.doi.org/10.1364/oe.25.023082.

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31

Morris, J. B., i M. V. Johnston. "Multiphoton ionization of transition-metal tetraphenylporphines. Metal complexes which display molecular ionization". International Journal of Mass Spectrometry and Ion Processes 73, nr 1-2 (listopad 1986): 175–80. http://dx.doi.org/10.1016/0168-1176(86)80018-0.

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32

Caselli, Paola. "The Fractional Ionization in Molecular Cloud Cores". Symposium - International Astronomical Union 197 (2000): 41–50. http://dx.doi.org/10.1017/s0074180900164666.

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Ions and electrons play a key role in the chemical and dynamical evolution of interstellar clouds. Gas phase ion–molecule reactions are major chemical routes to the formation of interstellar molecules. The ionization degree determines the coupling between the magnetic field and the molecular gas through ion–neutral collisions, and thus regulates the rate of star formation. In the theoretical determination of the degree of ionization we run into several sources of uncertainty, including the poorly known cosmic ray flux and metal depletion within the cores, the penetration of UV radiation deep into regions of high visual extinction due to cloud inhomogeneities, and the ionization rate increase in the proximity of young stellar objects which may be strong X–ray emitters. Observational estimates of electron (or ion) fractions x(e) (≡ n(e)/n(H2), where n(e) and n(H2) are the electron and molecular hydrogen number densities, respectively) in dense cloud cores are thus of considerable interest. In this paper, I will review recent improvements in the estimates of the ion fraction in dense cores and point out the difficulties in determining x(e).

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33

Bartnik, A., W. Skrzeczanowski, H. Fiedorowicz, P. Wachulak i T. Fok. "Low-temperature plasmas induced in nitrogen by extreme ultraviolet (EUV) pulses". Laser and Particle Beams 36, nr 1 (25.01.2018): 76–83. http://dx.doi.org/10.1017/s0263034617000982.

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AbstractIn this work, a comparative study of low-temperature plasmas, induced in a gaseous nitrogen by photoionization of the gas using two different irradiation systems, was performed. Both systems were based on laser-produced Xe plasmas, emitting intense extreme ultraviolet (EUV) radiation pulses in a wide wavelength range. The essential difference between the systems concerned formation of the EUV beam. The first one utilized a dedicated ellipsoidal mirror for collecting and focusing of the EUV radiation. This way a high radiation fluence could be obtained for ionization of the N2 gas injected into the vacuum chamber. The second system did not contain any EUV collector. In this case, the nitrogen to be ionized was injected into the vicinity of the Xe plasma. In both cases, energies of emitted photons were sufficient for dissociative ionization, ionization of atoms or even ions. The resulting photoelectrons had also sufficiently high energy for further ionizations or excitations. Low-temperature plasmas, created this way, were investigated by spectral measurements in the EUV, ultraviolet (UV) and visible (VIS) spectral ranges. Time-resolved UV/VIS spectra, corresponding to single-charged ions, molecules, and molecular ions, were recorded. Numerical simulations of the molecular spectra were performed allowing one to estimate vibrational and rotational temperatures of plasmas created using both irradiation systems.

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34

SCHELLHAMMER, C., V. SCHYJA, A. HIELSCHER i H. HELM. "Photopreparation of molecular hydrogen ions in intense laser fields". Laser and Particle Beams 18, nr 3 (lipiec 2000): 443–48. http://dx.doi.org/10.1017/s0263034600183120.

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Detailed experiments on the energy and angular distributions of both electrons and protons formed from molecular hydrogen in strong femtosecond laser fields are reported. At the wavelengths 389 and 406 nm the ionization dynamics is governed by resonance shifting of molecular Rydberg states. Differences from this mechanism appear only at the very lowest intensities, when close lying resonances of the E, F-state determine the photoelectron pattern in resonant enhanced ionization, and at very high intensities, when tunnel ionization suppresses molecular details. At wavelengths below 400 nm at intensities in the range of ≈1·1013 W/cm2 femtosecond pulses are quite suitable for preparation of state selected H2+ targets in a restricted range of vibrational levels.

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35

Gaches, Brandt A. L., Thomas G. Bisbas i Shmuel Bialy. "The impact of cosmic-ray attenuation on the carbon cycle emission in molecular clouds". Astronomy & Astrophysics 658 (luty 2022): A151. http://dx.doi.org/10.1051/0004-6361/202142411.

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Context. Observations of the emission of the carbon cycle species (C, C+, CO) are commonly used to diagnose gas properties in the interstellar medium, but they are significantly sensitive to the cosmic-ray ionization rate. The carbon-cycle chemistry is known to be quite sensitive to the cosmic-ray ionization rate, ζ, controlled by the flux of low-energy cosmic rays which get attenuated through molecular clouds. However, astrochemical models commonly assume a constant cosmic-ray ionization rate in the clouds. Aims. We investigate the effect of cosmic-ray attenuation on the emission of carbon cycle species from molecular clouds, in particular the [CII] 158 μm, [CI] 609 μm, and CO (J = 1–0) 115.27 GHz lines. Methods. We used a post-processed chemical model of diffuse and dense simulated molecular clouds and quantified the variation in both column densities and velocity-integrated line emission of the carbon cycle with different cosmic-ray ionization rate models. Results. We find that the abundances and column densities of carbon cycle species are significantly impacted by the chosen cosmic-ray ionization rate model: no single constant ionization rate can reproduce the abundances modeled with an attenuated cosmic-ray model. Further, we show that constant ionization rate models fail to simultaneously reproduce the integrated emission of the lines we consider, and their deviations from a physically derived cosmic-ray attenuation model is too complex to be simply corrected. We demonstrate that the two clouds we modeled exhibit a similar average AV,eff – nH relationship, resulting in an average relation between the cosmic-ray ionization rate and density ζ(nH). Conclusions. We conclude by providing a number of implementation recommendations for cosmic rays in astrochemical models, but emphasize the necessity for column-dependent cosmic-ray ionization rate prescriptions.

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36

Pryalkin, Boris S., i Yulia S. Bodagova. "Molecular Complexes of p-Chloranil with Aniline, Phenol and their Derivatives". Key Engineering Materials 670 (październik 2015): 89–94. http://dx.doi.org/10.4028/www.scientific.net/kem.670.89.

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Classification of simple supramolecular structures (for example molecular complexes), which has been introduced and described by Mulliken [1], is based on types of molecular orbitals of the components. In the paper [2], disadvantages of such classification are shown, which motivate us to return to the re-examination properties of molecular complexes. By this reason, there is a need to research the molecular complexes of one electron acceptor with a wide range of electron donor molecules. This paper have continued work (Part I [3]) on the chloranil complexes by studying the spectral properties complexes of N- and O-unsubstituting anilines and phenols. The present work aimed at analyzing linear relation the energies of charge-transfer bands of molecular complexes are related to ionization potentials of the donor components. All complexes conform to linear relations like involving both adiabatic and vertical ionization potentials of donor components. Mulliken [1] has been proposed to apply the vertical ionization potentials of donor components only. The development of photoelectron spectroscopy has led to the measurement of adiabatic and vertical ionization energies for thousands of molecules, which allow theirs to the present analysis of spectral properties molecular complexes.

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37

Hervé du Penhoat, Marie-Anne, Anis Hamila, Marie-Pierre Gaigeot, Rodolphe Vuilleumier, Kentaro Fujii, Akinari Yokoya i Marie-Françoise Politis. "Ab Initio Molecular Dynamics Simulations to Interpret the Molecular Fragmentation Induced in Deoxyribose by Synchrotron Soft X-Rays". Quantum Beam Science 3, nr 4 (10.12.2019): 24. http://dx.doi.org/10.3390/qubs3040024.

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It has been suggested that core ionization in DNA atoms could induce complex, irreparable damage. Synchrotron soft X-rays have been used to probe the damage induced by such events in thin films of DNA components. In a complementary approach, we investigate the fragmentation dynamics following a carbon or oxygen K-shell ionization in 2-deoxy-D-ribose (DR), a major component in the DNA chain. Core ionization of the sugars hydration layer is also studied. To that aim, we use state-of-the-art ab initio Density Functional Theory-based Molecular Dynamics (MD) simulations. The ultrafast dissociation dynamics of the core ionized molecule, prior Auger decay, is modeled for about 10 fs. We show that the core-ionization of oxygen atoms within DR or its hydration layer may induce proton transfers towards nearby molecules, before Auger decay. In a second step, we model an Auger effect occurring either at the beginning or at the end of the core–hole dynamics. Two electrons are removed from the deepest valence molecular orbitals localized on the initially core-ionized oxygen atom (O*), and this electronic state is propagated by means of Ehrenfest MD. We show an ultrafast dissociation of the DR2+ molecule C-O* bonds, which, in most cases, seems independent of the time at which Auger decay occurs.

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38

Knochenmuss, Richard, i Leonid V. Zhigilei. "Molecular Dynamics Model of Ultraviolet Matrix-Assisted Laser Desorption/Ionization Including Ionization Processes". Journal of Physical Chemistry B 109, nr 48 (grudzień 2005): 22947–57. http://dx.doi.org/10.1021/jp052945e.

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39

Loriot, Vincent, Edouard Hertz, Arnaud Rouzée, Bernard Sinardet, Bruno Lavorel i Olivier Faucher. "Strong-field molecular ionization: determination of ionization probabilities calibrated with field-free alignment". Optics Letters 31, nr 19 (11.09.2006): 2897. http://dx.doi.org/10.1364/ol.31.002897.

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40

Chen, Yit-Tsong. "Molecular Rydberg States and Ionization Energy Studied by Two-Photon Resonant Ionization Spectroscopy". Journal of the Chinese Chemical Society 49, nr 5 (październik 2002): 703–22. http://dx.doi.org/10.1002/jccs.200200104.

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41

Inhester, Ludger, Kota Hanasaki, Koudai Toyota, Yajiang Hao, Oriol Vendrell, Sang-Kil Son i Robin Santra. "Molecular ionization enhancement by charge rearrangement at high X-ray intensity". EPJ Web of Conferences 205 (2019): 06009. http://dx.doi.org/10.1051/epjconf/201920506009.

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We simulated the multi-photon multi-ionization dynamics of an iodomethane molecule, CH3I, exposed to ultraintense and ultrashort x-ray pulses. The strong ionization causes electronic charge rearrangement in the molecule that leads to an enhanced total charge.

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42

Baumert, T., M. Grosser, R. Thalweiser i G. Gerber. "Femtosecond time-resolved molecular multiphoton ionization: TheNa2system". Physical Review Letters 67, nr 27 (30.12.1991): 3753–56. http://dx.doi.org/10.1103/physrevlett.67.3753.

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43

Dietrich, P., D. T. Strickland i P. B. Corkum. "Multiphoton ionization of inertially confined molecular ions". Journal of Physics B: Atomic, Molecular and Optical Physics 26, nr 15 (14.08.1993): 2323–34. http://dx.doi.org/10.1088/0953-4075/26/15/018.

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44

Jaroń-Becker, A., i A. Becker. "Suppressed molecular ionization due to interferences effects". Laser Physics 19, nr 8 (sierpień 2009): 1705–11. http://dx.doi.org/10.1134/s1054660x09150201.

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45

Lavtrent’ev, G. Ya, N. M. Blashenkov i O. L. Golubev. "Field surface ionization of nanosized molecular complexes". Technical Physics 55, nr 7 (lipiec 2010): 1051–55. http://dx.doi.org/10.1134/s1063784210070212.

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