| 1. |
- Novotny, O., et al.
(författare)
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Dissociative Recombination Measurements of Chloronium Ions (D2Cl+) Using an Ion Storage Ring
- 2018
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Ingår i: Astrophysical Journal. - : American Astronomical Society. - 0004-637X .- 1538-4357. ; 862:2
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Tidskriftsartikel (refereegranskat)abstract
- We report our plasma rate coefficient and branching ratio measurements for dissociative recombination (DR) of D2Cl+ with electrons. The studies were performed in a merged-beams configuration using the TSR heavy-ion storage ring located at the Max Planck Institute for Nuclear Physics in Heidelberg, Germany. Starting with our absolute merged-beams recombination rate coefficient at a collision energy of approximate to 0 eV, we have extracted the cross section and produced a plasma rate coefficient for a translational temperature of approximate to 8 K. Furthermore, extrapolating our cross-section results using the typical low-energy DR behavior, we have generated a plasma rate coefficient for translational temperatures from 5 to 500 K. We find good agreement between our extrapolated results and previous experimental DR studies on D2Cl+. Additionally, we have investigated the three fragmentation channels for DR of D2Cl+. Here we report on the dissociation geometry of the three-body fragmentation channel, the kinetic energy released for each of the three outgoing channels, the molecular internal excitation for the two outgoing channels that produce molecular fragments, and the fragmentation branching ratios for all three channels. Our results, in combination with those of other groups, indicate that any remaining uncertainties in the DR rate coefficient for H2Cl+ appear unlikely to explain the observed discrepancies between the inferred abundances of HCl and H2Cl+ in molecular clouds and predictions from astrochemical models.
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| 2. |
- Amador, Elena S., et al.
(författare)
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Synchronous in-field application of life-detection techniques in planetary analog missions
- 2015
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Ingår i: Planetary and Space Science. - : PERGAMON-ELSEVIER SCIENCE LTD. - 0032-0633 .- 1873-5088. ; 106, s. 1-10
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Tidskriftsartikel (refereegranskat)abstract
- Field expeditions that simulate the operations of robotic planetary exploration missions at analog sites on Earth can help establish best practices and are therefore a positive contribution to the planetary exploration community. There are many sites in Iceland that possess heritage as planetary exploration analog locations and whose environmental extremes make them suitable for simulating scientific sampling and robotic operations. We conducted a planetary exploration analog mission at two recent lava fields in Iceland, Fimmvorouhals (2010) and Eldfell (1973), using a specially developed field laboratory. We tested the utility of in-field site sampling down selection and tiered analysis operational capabilities with three life detection and characterization techniques: fluorescence microscopy (FM), adenine-triphosphate (ATP) bioluminescence assay, and quantitative polymerase chain reaction (qPCR) assay. The study made use of multiple cycles of sample collection at multiple distance scales and field laboratory analysis using the synchronous fife-detection techniques to heuristically develop the continuing sampling and analysis strategy during the expedition. Here we report the operational lessons learned and provide brief summaries of scientific data. The full scientific data report will follow separately. We found that rapid in-field analysis to determine subsequent sampling decisions is operationally feasible, and that the chosen life detection and characterization techniques are suitable for a terrestrial life-detection field mission. In-field analysis enables the rapid obtainment of scientific data and thus facilitates the collection of the most scientifically relevant samples within a single field expedition, without the need for sample relocation to external laboratories. The operational lessons learned in this study could be applied to future terrestrial field expeditions employing other analytical techniques and to future robotic planetary exploration missions.
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| 3. |
- Calabrese, Camilla, et al.
(författare)
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Acrylic acid (CH2CHCOOH) : the rotational spectrum in the millimetre range up to 397 GHz
- 2015
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Ingår i: Molecular Physics. - : Informa UK Limited. - 0026-8976 .- 1362-3028. ; 113:15-16, s. 2290-2295
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Tidskriftsartikel (refereegranskat)abstract
- In order to facilitate its detection in astronomical observations, the measurement of the rotational spectrum of acrylic acid has been extended to 397 GHz using a free space cell at room temperature. 295 new lines were assigned to the s-cis conformer and 286 new lines to the s-trans conformer of acrylic acid. Using the determined experimental parameters, the predictions of the rotational transition frequencies up to 900 GHz and their intensities were obtained at temperatures of 100 and 200 K and at room temperature. Based on these predictions, a search of the most intense transitions of acrylic acid in star-forming regions was performed using published data from the HERSCHEL Science Archive. No lines were found but the possibility of observing rotational transitions of acrylic acid in astronomical objects is discussed.
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| 4. |
- Calabrese, Camilla, et al.
(författare)
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Millimeter Wave Spectrum of the Weakly Bound Complex CH2=CHCN center dot H2O : Structure, Dynamics, and Implications for Astronomical Search
- 2015
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Ingår i: Journal of Physical Chemistry A. - : American Chemical Society (ACS). - 1089-5639 .- 1520-5215. ; 119:48, s. 11674-11682
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Tidskriftsartikel (refereegranskat)abstract
- The weakly bound 1:1 complex between acrylonitrile (CH2=-CHCN) and water has been characterized spectroscopically in the millimeter wave range (59.6-74.4 GHz) using a Free Jet Absorption Millimeter Wave spectrometer. Precise values of the rotational and quartic centrifugal distortion constants have been obtained from the measured frequencies of the normal and isotopically substituted water moiety (DOH, DOD, (HOH)-O-18). Structural parameters have been estimated from the rotational constants and their differences among isotopologues: the complex has a planar structure with the two subunits held together by a O-H center dot center dot center dot N (2.331(3) angstrom) and a C- H center dot center dot center dot O (2.508(4) angstrom) interaction. The ab initio intermolecular binding energy, obtained at the counterpoise corrected MP2/aug-cc-pVTZ level of calculation, is D-e = 24.4 kJ mol(-1)
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| 5. |
- Carrascosa, E., et al.
(författare)
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Nucleophilic substitution with two reactive centers : The CN- + CH3I case
- 2015
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Ingår i: Journal of Chemical Physics. - : AIP Publishing. - 0021-9606 .- 1089-7690. ; 143:18
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Tidskriftsartikel (refereegranskat)abstract
- The nucleophilic substitution reaction CN- + CH3I allows for two possible reactive approaches of the reactant ion onto the methyl halide, which lead to two different product isomers. Stationary point calculations predict a similar shape of the potential and a dominant collinear approach for both attacks. In addition, an H-bonded pre-reaction complex is identified as a possible intermediate structure. Submerged potential energy barriers hint at a statistical formation process of both CNCH3 and NCCH3 isomers at the experimental collision energies. Experimental angle-and energy differential cross sections show dominant direct rebound dynamics and high internal excitation of the neutral product. No distinct bimodal distributions can be extracted from the velocity images, which impedes the indication of a specific preference towards any of the product isomers. A forward scattering simulation based on the experimental parameters describes accurately the experimental outcome and shows how the possibility to discriminate between the two isomers is mainly hindered by the large product internal excitation.
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| 6. |
- Dunér, David, et al.
(författare)
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Astrobiology and Society in Europe
- 2018
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Ingår i: Astrobiology and Society in Europe Today. - Cham : Springer International Publishing. - 9783319962641 ; , s. 7-10
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Bokkapitel (refereegranskat)
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| 7. |
- Dunér, David, et al.
(författare)
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Education, Training and Scholarship
- 2018
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Ingår i: Astrobiology and Society in Europe Today. - Cham : Springer International Publishing. - 9783319962641 ; , s. 31-35
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Bokkapitel (refereegranskat)
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| 8. |
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| 9. |
- Fathi, Pantea, et al.
(författare)
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Experimental and theoretical investigations of the ion-neutral reaction of C2H2N+ with C2H6 and implications on chain elongation processes in Titan's atmosphere
- 2016
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Ingår i: International Journal of Mass Spectrometry. - : Elsevier BV. - 1387-3806 .- 1873-2798. ; 411, s. 1-13
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Tidskriftsartikel (refereegranskat)abstract
- In this study we report theoretical and experimental evidence for the formation of ionic products by the ion-neutral reaction of C2H2N+ with C2H6. Our investigations consist of laboratory measurements using a guided ion beam mass spectrometer together with complementary ab initio quantum chemical computations, at the MP2/6-311++G(d,p) level of theory, in order to elucidate the energetics and geometries of the intermediates and transition states that are involved in the production of the observed product ions. This study also provides insights on the isomeric nature of the observed product ions, their formation pathways together with collision energy and pressure dependences. The experimental data agrees well with the predictions of the ab initio calculations. Despite data provides evidence for the occurrence of C2H5+ as the most salient product ion, the production of CH3+, C2H3+, C3H5+, C3H7+ and C2H4N+ is also evident. A reaction scheme was proposed to elucidate the mechanisms responsible for the formation of the observed product ions. These processes might be intermediate steps in the generation of long chain carbon and nitrogen-bearing compounds in Titan's ionosphere, the interstellar medium or circumstellar envelopes.
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| 10. |
- Fathi, Pantea, et al.
(författare)
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Ion-neutral reaction of C2H2N+ with CH4 : An experimental and theoretical study
- 2016
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Ingår i: Molecular Astrophysics. - : Elsevier BV. - 2405-6758 .- 2405-674X. ; 5, s. 9-22
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Tidskriftsartikel (refereegranskat)abstract
- The current study was undertaken to probe the ionic products of the ion-neutral reaction of C2H2N+ with CH4 using guided ion beam mass spectrometry (GIB-MS) in which the CH3+, C2H3+, HCNH+, C2H5+, C2H3N+ and C3H4N+ ions are identified as products. Theoretical calculations were performed to suggest reaction pathways leading to the detected products. These processes might be of relevance for the generation of long chain carbon-nitrogen bearing compounds in Titan's atmosphere, the interstellar medium or circumstellar envelopes.
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