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Statistical and Non-statistical frag-mentation of large molecules in col-lisions with atoms: Polycyclic Aromatic Hydrocarbons and Fullerenes
Stockholm University, Faculty of Science, Department of Physics.
2014 (English)Licentiate thesis, comprehensive summary (Other academic)
Place, publisher, year, edition, pages
Stockholm: Department of Physics, Stockholm University , 2014. , 46 p.
National Category
Physical Sciences
Research subject
Physics
Identifiers
URN: urn:nbn:se:su:diva-102005ISBN: 978-91-7447-869-3 (print)OAI: oai:DiVA.org:su-102005DiVA: diva2:706518
Presentation
2014-04-11, FB53, Albanova universitetscentrum, Roslagstullsbacken 21, Stockholm, 13:00 (English)
Opponent
Supervisors
Note

At the time of the seminar the following papers were unpublished and had a status as follows:  Paper 3: Epubl ahead of print; Paper 5: Manuscript.

Available from: 2014-03-28 Created: 2014-03-20 Last updated: 2014-03-28Bibliographically approved
List of papers
1. Formations of Dumbbell C-118 and C-119 inside Clusters of C-60 Molecules by Collision with alpha Particles
Open this publication in new window or tab >>Formations of Dumbbell C-118 and C-119 inside Clusters of C-60 Molecules by Collision with alpha Particles
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2013 (English)In: Physical Review Letters, ISSN 0031-9007, E-ISSN 1079-7114, Vol. 110, no 18, 185501Article in journal (Refereed) Published
Abstract [en]

We report highly selective covalent bond modifications in collisions between keV alpha particles and van der Waals clusters of C-60 fullerenes. Surprisingly, C-119(+) and C-118(+) are the dominant molecular fusion products. We use molecular dynamics simulations to show that C-59(+) and C-58(+) ions-effectively produced in prompt knockout processes with He2+-react rapidly with C-60 to form dumbbell C-119(+) and C-118(+). Ion impact on molecular clusters in general is expected to lead to efficient secondary reactions of interest for astrophysics. These reactions are different from those induced by photons.

National Category
Physical Sciences
Research subject
Physics
Identifiers
urn:nbn:se:su:diva-91298 (URN)10.1103/PhysRevLett.110.185501 (DOI)000319019300008 ()
Funder
Swedish Research Council, 621-2008-3773, 621-2009-3468, 621-2011-4047EU, European Research Council, 246976
Note

AuthorCount:22;

Available from: 2013-06-27 Created: 2013-06-24 Last updated: 2017-12-06Bibliographically approved
2. Ions colliding with clusters of fullerenes-Decay pathways and covalent bond formations
Open this publication in new window or tab >>Ions colliding with clusters of fullerenes-Decay pathways and covalent bond formations
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2013 (English)In: Journal of Chemical Physics, ISSN 0021-9606, E-ISSN 1089-7690, Vol. 139, no 3, 034309Article in journal (Refereed) Published
Abstract [en]

We report experimental results for the ionization and fragmentation of weakly bound van der Waals clusters of n C-60 molecules following collisions with Ar2+, He2+, and Xe20+ at laboratory kinetic energies of 13 keV, 22.5 keV, and 300 keV, respectively. Intact singly charged C-60 monomers are the dominant reaction products in all three cases and this is accounted for by means of Monte Carlo calculations of energy transfer processes and a simple Arrhenius-type [C-60](n)(+) -> C-60(+) + (n - 1)C-60 evaporation model. Excitation energies in the range of only similar to 0.7 eV per C-60 molecule in a [C-60](13)(+) cluster are sufficient for complete evaporation and such low energies correspond to ion trajectories far outside the clusters. Still we observe singly and even doubly charged intact cluster ions which stem from even more distant collisions. For penetrating collisions the clusters become multiply charged and some of the individual molecules may be promptly fragmented in direct knock-out processes leading to efficient formations of new covalent systems. For Ar2+ and He2+ collisions, we observe very efficient C-119(+) and C-118(+) formation and molecular dynamics simulations suggest that they are covalent dumb-bell systems due to bonding between C-59(+) or C-58(+) and C-60 during cluster fragmentation. In the Ar2+ case, it is possible to form even smaller C-120-2m(+) molecules (m = 2-7), while no molecular fusion reactions are observed for the present Xe20+ collisions.

National Category
Atom and Molecular Physics and Optics
Research subject
Physics
Identifiers
urn:nbn:se:su:diva-92922 (URN)10.1063/1.4812790 (DOI)000322203000028 ()
Funder
Swedish Research Council, 621-2008-3773Swedish Research Council, 621-2009-3468Swedish Research Council, 621-2011-4047EU, European Research Council, 246976
Note

AuthorCount:23;

Available from: 2013-08-30 Created: 2013-08-26 Last updated: 2017-12-06Bibliographically approved
3. Non-statistical fragmentation of PAHs and fullerenes in collisions with atoms
Open this publication in new window or tab >>Non-statistical fragmentation of PAHs and fullerenes in collisions with atoms
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2014 (English)In: International Journal of Mass Spectrometry, ISSN 1387-3806, E-ISSN 1873-2798, Vol. 365, 260-265 p.Article in journal (Refereed) Published
Abstract [en]

Non-statistical fragmentation processes may be important when Polycyclic Aromatic Hydrocarbon molecules (PAHs), fullerenes, or other large complex molecules collide with atoms and atomic ions. For collisions with hydrogen or helium this occurs for center-of-mass energies between a few tens to a few hundreds of electron volts and typically results in losses of single atoms. In such processes one forms much more reactive fragments than in statistical fragmentation, which instead are dominated by losses of C2- or C2H2-molecules (H-atoms) from fullerenes and PAHs, respectively. An enhanced reactivity has recently been demonstrated for van der Waals clusters of C60 molecules where prompt knockouts of single C-atoms from one of the fullerenes yield highly reactive C59+ fragments, which easily form covalent bonds with a C60 molecule inside the clusters

Keyword
Fullerene, PAH, Knockout, Ion collisions, Molecular fusion, Non-statistical fragmentation
National Category
Physical Sciences
Research subject
Physics
Identifiers
urn:nbn:se:su:diva-102211 (URN)10.1016/j.ijms.2013.12.013 (DOI)000338622200042 ()
Available from: 2014-03-28 Created: 2014-03-28 Last updated: 2017-12-05Bibliographically approved
4. Non-statistical fragmentation of PAHs and fullerenes in collisions with atoms
Open this publication in new window or tab >>Non-statistical fragmentation of PAHs and fullerenes in collisions with atoms
Show others...
2014 (English)In: International Journal of Mass Spectrometry, ISSN 1387-3806, E-ISSN 1873-2798, Vol. 365, 260-265 p.Article in journal (Refereed) Published
Abstract [en]

Non-statistical fragmentation processes may be important when Polycyclic Aromatic Hydrocarbon molecules (PAHs), fullerenes, or other large complex molecules collide with atoms and atomic ions. For collisions with hydrogen or helium this occurs for center-of-mass energies between a few tens to a few hundreds of electron volts and typically results in losses of single atoms. In such processes one forms much more reactive fragments than in statistical fragmentation, which instead are dominated by losses of C2- or C2H2-molecules (H-atoms) from fullerenes and PAHs, respectively. An enhanced reactivity has recently been demonstrated for van der Waals clusters of C60 molecules where prompt knockouts of single C-atoms from one of the fullerenes yield highly reactive C59+ fragments, which easily form covalent bonds with a C60 molecule inside the clusters

Keyword
Fullerene, PAH, Knockout, Ion collisions, Molecular fusion, Non-statistical fragmentation
National Category
Physical Sciences
Research subject
Physics
Identifiers
urn:nbn:se:su:diva-102211 (URN)10.1016/j.ijms.2013.12.013 (DOI)000338622200042 ()
Available from: 2014-03-28 Created: 2014-03-28 Last updated: 2017-12-05Bibliographically approved
5. Absolute fragmentation cross sections in atom-molecule collisions:Scaling law for non-statistical PAHs fragmentations
Open this publication in new window or tab >>Absolute fragmentation cross sections in atom-molecule collisions:Scaling law for non-statistical PAHs fragmentations
(English)Manuscript (preprint) (Other academic)
National Category
Physical Sciences
Identifiers
urn:nbn:se:su:diva-102213 (URN)
Available from: 2014-03-28 Created: 2014-03-28 Last updated: 2014-03-28

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