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Measuring the internal energies of species emitted from hypervelocity nanoprojectile impacts on surfaces using recalibrated benzylpyridinium probe ions
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10.1063/1.4807602
/content/aip/journal/jcp/138/21/10.1063/1.4807602
http://aip.metastore.ingenta.com/content/aip/journal/jcp/138/21/10.1063/1.4807602

Figures

Image of FIG. 1.
FIG. 1.

Preferred fragmentation pathway for benzylpyridinium ions.

Image of FIG. 2.
FIG. 2.

(a) Schematic view of the experimental setup showing the relative positions of the sample, time of flight start and stop detectors, 90% transmission grids, magnetic field, projectile (gold) flight path, proton (H, blue) flight path, and secondary ion (green) flight path. Also shown are the accelerating electric fields within the ion extraction and ion detection regions along the secondary ion (green) flight path whenever (b) 5 kV or (c) 10 kV is applied to the sample and −2.2 kV is applied to the front of the ToF stop detector. Diagrams not drawn to scale.

Image of FIG. 3.
FIG. 3.

Mass spectrum of p-CH BPY generated by 440 keV Au impacts using a 10 kV secondary ion accelerating voltage. Fragmentation tail is highlighted in red and the area integrated for the fragment peak is shaded.

Image of FIG. 4.
FIG. 4.

Survival yield values for five BPY ions generated by 440 keV Au impacts. Survival yields were measured using a 10 kV ion extraction voltage and are plotted using the CCSD(T)/BSII//B3LYP/BSI dissociation energies. The data are fitted with a sigmoidal breakdown curve which displays the asymptotic behavior of the predicted survival yield for theoretical molecules with much lower or much higher bond dissociation energies.

Image of FIG. 5.
FIG. 5.

Dissociation energies calculated for five different benzylpyridinium ions at various levels of theory.

Image of FIG. 6.
FIG. 6.

(a) Rate constant and (b) lifetime distributions measured for four BPY ions generated by 440 keV Au impacts.

Image of FIG. 7.
FIG. 7.

Plots for four BPY ions showing the sum of states calculated at each step along their fragmentation pathways at an internal energy of 5.95 eV.

Image of FIG. 8.
FIG. 8.

RRKM relations calculated for four BPY ions.

Image of FIG. 9.
FIG. 9.

(a) Total internal energy distributions measured for the p-OCH, p-CH, p-Cl, and p-CN BPY ions. Distributions are also normalized (b) to the number of atoms and (c) to the number of degrees of freedom.

Tables

Generic image for table
Table I.

CCSD(T)/BSII//B3LYP/BSI dissociation energies for the full series of BPY thermometer ions.

Generic image for table
Table II.

Summary of experimentally measured parameters for selected BPY thermometer ions.

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/content/aip/journal/jcp/138/21/10.1063/1.4807602
2013-06-03
2014-04-16
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Measuring the internal energies of species emitted from hypervelocity nanoprojectile impacts on surfaces using recalibrated benzylpyridinium probe ions
http://aip.metastore.ingenta.com/content/aip/journal/jcp/138/21/10.1063/1.4807602
10.1063/1.4807602
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