Electron-impact single ionization of Mg and Al+

Theory and experiment are compared for the electron-impact single ionization of Mg and Al+. Nonpertur- bative R matrix with pseudostates RMPS and time-dependent close-coupling TDCC calculations have been carried out that exhibit large reductions from perturbative distorted-wave results of 38% for Mg and 20% for Al+. Experimental single-ionization data available for Mg and Al+ are in reasonable accord with distorted-wave data and lie substantially above the new theoretical results. Rate coefficients, necessary for the collisional- radiative modeling of Mg and Al plasmas were generated from the RMPS ionization cross sections. In the collisional-ionization region near the ionization threshold, the resulting rates were found to be up to two times lower for Mg and three times lower for Al+ than the rates generated from experimental data.

Electron impact fragmentation of thymine:partial ionization cross sections for positive fragments

We have measured mass spectra for positive ions for low-energy electron impact on thymine using a reflectron time-of-flight mass spectrometer. Using computer controlled data acquisition, mass spectra have been acquired for electron impact energies up to 100 eV in steps of 0.5 eV. Ion yield curves for most of the fragment ions have been determined by fitting groups of adjacent peaks in the mass spectra with sequences of normalized Gaussians. The ion yield curves have been normalized by comparing the sum of the ion yields to the average of calculated total ionization cross sections. Appearance energies have been determined. The nearly equal appearance energies of 83 u and 55 u observed in the present work strongly indicate that near threshold the 55 u ion is formed directly by the breakage of two bonds in the ring, rather than from a successive loss of HNCO and CO from the parent ion. Likewise 54 u is not formed by CO loss from 82 u. The appearance energies are in a number of cases consistent with the loss of one or more hydrogen atoms from a heavier fragment, but 70 u is not formed by hydrogen loss from 71 u.

Electron impact and chemical ionization mass spectral analyses of methyl esters species of free mycolic acid fraction from Rhodococcus lentifragmentus

The free mycolic acid fraction from Rhodococcus lentifragmentus was derivatized to methyl esters and further fractionated into saturated (F-0), monounsaturated (F-1) and diunsaturated (F-2) species using argentation-TLC. Methyl esters fractions F-0, F-1 and F-2, accounting for approximately 7.4%, 53.1% and 39.5%, respectively, were analyzed by electron impact (EI) and chemical ionization (CI) mass spectrometries. According to EI-MS, peaks observed for M(+)-18, that were prominent compared to those representing M(+)-32 and M(+)-(18 + 32), indicated that the carbon chain size ranged from C-36 to C-48. The pyrolytic cleavage of methyl mycolates (R(2)-CHOH-CH(R(1))-COOCH3), following the McLafferty rearrangement released fragment ions corresponding to, (a) the alpha-subunit, representing the fatty acid methyl ester (R(1)-CH2-COOCH3), methyl hexadecanoate, methyl tetradecanoate and methyl dodecanoate in decreasing order of relative intensity of peaks, and (b) the beta-subunit, representing the meroaldehyde moiety (R(2)-CHO). The saturated meroaldehyde species exhibited peaks representing meroaldehyde minus 18 mass units in which R(2) ranged from C19H39 to C31H63. The monunsaturated species exhibited peaks representing the meroaldehyde in which R(2) ranged from C19H37 to C31H61; peaks corresponding to meroaldehyde minus 18 mass units appeared only in the most abundant components, C29H57CHO, C27H53CHO, C25H49CHO and C31H61CHO, in a decreasing order of relative abundance. The diunsaturated species exhibited peaks essentially corresponding to meroaldehyde in which R(2) corresponded to C31H59 and C29H55; the latter displayed a relative intensity that was about one-half compared to that of the former. Fractions F-0, F-1 and F-2 showed a more intense pyrolytic fragmentation under CI-MS in contrast to results found under EI-MS. Therefore, peaks representing the alpha-subunit and the beta-subunit were more prominent than the ones representing the fragmentation of the hydrocarbon chain. Moreover, the beta-subunit of saturated species exhibited peaks corresponding to meroaldehyde plus hydrogen, and no dehydration of the beta-subunit occurred in this case. In turn, the beta-subunit of monounsaturated and diunsaturated species showed peaks representing both the meroaldehyde plus hydrogen and its dehydration product plus hydrogen. Thus, the presence of unsaturation in the meroaldehyde subunit of methyl mycolate facilitates appearance of dehydration fragment ions under chemical ionization procedure.

Studies of multiple ionization in the RF spark and vacuum vibrator arc ion sources

Relative abundance distributions of multiply-charged ionic species have been measured for the RF spark and vacuum vibrator are ion sources, for a number of elements. An attempt has been made to explain the observed charge state distribution on the basis of models for the arc and spark plasma. The difficulties in the way of explaining the observed charge state distributions, using the LTE model with Saha distribution as well as the corona model, are pointed out. The distribution can be explained by a diffusion-dominated plasma model with known or calculated values for ionization cross-sections, the single impact model being suitable for the RF spark and the multiple impact model for the vibrator arc.

Effect of time-dependent ionization on the propagation of a few-cycle laser pulse in a two-level medium

We investigate the influence of ionization on the propagation and spectral effects of a few-cycle ultrashort laser pulse in a two-level medium. It is found that when the fractional ionization is weak, the production of higher spectral components makes no difference. However, when the two states are essentially depleted before the peak of the laser pulse, the impact of ionization on the higher spectral components is very significant.

Kinetic energies of C-n(+) (n <= 58) fragment ions produced by nanosecond laser impact on C-60

Laser-induced fragmentation of C-60 has been studied using a time-of-flight mass spectrometric technique. The average kinetic energies of fragment ions C-n(+) (n <= 58) have been extracted from the measured full width at half maximum (FWHM) of ion beam profiles. The primary formation mechanism of small fragment ion C-n(+) (n < 30) is assumed to be a two-step fragmentation process: C60 sequential decay to unstable C-30(+) ion and the binary fission of C-30(+). Considering a second photo absorption process in the later part of laser pulse duration, good agreement is achieved between experiment and theoretical description of photoion formation. (C) 2009 Elsevier B. V. All rights reserved.

One-electron capture with simultaneous ionization in Cq+, Oq+ (q=1-4)-Ar collisions

The ratios R-k1 of k-fold to single ionization of the target atom with simultaneous one-electron capture by the projectile have been measured for 15-480 keV/u (nu(p) = 0.8-4.4 a.u.) collisions of Cq+, Oq+ (q=1-4) with Ar, using time-of-flight techniques which allowed the simultaneous identification of the final charge state of both the low-velocity recoil ion and the high-velocity projectile for each collision event. The present ratios are similar to those for He+ and He2+ ion impact. The energy dependence of R-k1 shows a maximum at a certain energy, E-max. which approximately conforms to the q(1/2)-dependence scaling. For a fixed projectile state, the ratios R-k1 also vary strongly with outgoing reaction channels. The general behavior of the measured data can be qualitatively analyzed by a simple impact-parameter, independent-electron model. (C) 2009 Elsevier B.V. All rights reserved.

Cross sections for transfer ionization in ion-helium collisions

A simple model has been developed within the independent-particle model (IPM) based on the Bohr-Lindhard model and classical statistical model. Cross sections for transfer ionization of helium by ions A(q+) (q = 1-3) are calculated for impact energies between 10 and 6000 keV/u. The calculated cross sections are in good agreement with the experimental data of helium by He(1-2)+ and Li(1-3)+.

Theoretical investigation on excitation, ionization and capture in H(1s, 2s)+H(1s, 2s) collisions

Cross sections of electron- loss in H( 1s)+ H( 1s) collisions and total collisional destruction of H( 2s) in H( 1s) + H( 2s) collisions are calculated by four- body classical- trajectory Monte Carlo ( CTMC) method and compared with previous theoretical and experimental data over the energy range of 4 - 100 keV. For the former a good agreement is obtained within di. erent four- body CTMC calculations, and for the incident energy Ep > 10 keV, comparison with the experimental data shows a better agreement than the results calculated by the impact parameter approximation. For the latter, our theory predicts the correct experimental behaviour, and the discrepancies between our results and experimental ones are less than 30%. Based on the successive comparison with experiments, the cross sections for excitation to H( 2p), single- and double- ionization and H- formation in H( 2s)+ H( 2s) collisions are calculated in the energy range of 4 - 100 keV for the. rst time, and compared with those in H( 1s)+ H( 1s) and H( 1s)+ H( 2s) collisions.

Emission characteristics of three final continuum electrons produced in low-energy double ionization of helium

The double ionization of helium by electron impact for 106 eV incident energy was studied in a kinematically complete experiment by using a reaction microscope. The pattern of the angular correlation of the three emitted electrons was analyzed by selecting different values of the recoil ion longitudinal momentum. The Wannier predicted geometry appears when the recoil ion carries the full initial projectile momentum. It was found that at this low impact energy, the outgoing electrons still remember the initial-state collision information.

Experimental investigation of transfer ionization mechanism in slow He2+ -He collisions

The processes of transfer ionization in He2+ -He collisions at energies ranging from 20 to 40 keV have been studied experimentally by means of cold target recoil ions momentum spectroscopy. From the longitudinal momentum spectra of recoil ions, different mechanisms of transfer ionization have been obtained. The results show that one of the electrons of helium atom being captured into the ground state of projectile ion He2+ and the other one emitted to the continuum state of projectile or target are the dominant mechanisms of transfer ionization. The autoionization cross section of projectile after two-electron capture into a double excited state is small. Transfer ionization for one target electron capture into ground state and the other one into the continuum of projectile mainly occurs at large impact parameter collisions.

CHEMICAL-IONIZATION MASS-SPECTROMETRY OF SOME NITRO-CONTAINING BIFUNCTIONAL AROMATIC-COMPOUNDS - LOCATION OF PROTONATION SITE

It is found that the nitro substituent of some aromatic bifunctional compounds shows unusual reactivity towards protonation. In the chemical ionization mass spectra of nitrobenzoic acids and their esters and amides, and of nitrophenols and their ethers, protonations on the carboxyl, ester, amide, hydroxyl or alkoxyl groups are highly suppressed by that on the nitro group. As a result, fragmentations based on protonation on these groups unexpectedly become negligible. Ortho effects were observed for all the ortho isomers where the initial protonation on the nitro group is followed by an intramolecular proton transfer reaction, which leads to the expected 'normal' fragmentations. Protonation on the nitro substituent is much more favourable in energy than on any of the other substituents. The interaction of the two substituents through the conjugating benzene ring is found to be responsible for this 'unfair' competitive protonation. The electron-attracting nitro group strongly destabilizes the MH+ ions formed through protonation on the other substituent; although the COR (R = OH, OMe, OEt, NH2) groups are also electron-withdrawing, their effects are weaker than that of NO2; thus protonation on the latter group produces more-stable MH+ ions. On the other hand, an electron-releasing group OR (R = H, Me, Et) stabilizes the nitro-protonated species; the stronger the electron-donating effect of this group the more stable the nitro-protonated ions.