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Spectroscopic Characterization of Carbon Radicals and Ions

English title Spectroscopic Characterization of Carbon Radicals and Ions
Applicant Maier John Paul
Number 140316
Funding scheme Project funding
Research institution Physikalische Chemie Departement Chemie Universität Basel
Institution of higher education University of Basel - BS
Main discipline Physical Chemistry
Start/End 01.04.2012 - 31.03.2015
Approved amount 930'000.00
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Keywords (5)

Radicals; Electronic-spectra; Interstellar molecules; Carbon-clusters; Ions

Lay Summary (English)

Lead
Lay summary

The goal of the project is to further develop and apply methods for the first time measurement of the electronic spectra of molecules of astrophysical and chemical interest. Especially in focus are carbon chains, rings, fullerenes and their ions with strong transitions in the visible part of the spectrum, the region the astronomers observe the unidentified absorptions in the interstellar medium known as diffuse interstellar bands. Carbon chains and fullerene cations are especially good candidates but the laboratory spectra at low temperatures, 10-50 K, are lacking. Such short-lived radicals and ions are produced “in situ” in our self-built instruments under cold and collision free conditions.  For this purpose discharge and laser vaporization sources coupled with supersonic expansions are used. Alternatively mass-selected ions are trapped in either neon matrices at 6 K for absorption measurements or held in radiofrequency field in the gas phase and cooled to such low temperatures by collisions with cryogenically cooled helium. Lasers are used to excite the electronic transitions and detection follows by a number of sensitive techniques such as resonant multi-photon excitation, cavity ring-down absorption, degenerate four-wave mixing and action spectroscopies.

Following the observation and analysis of the spectroscopic patterns, information on the electronic structure and bonding of the short lived species is made. In collaboration with astronomers the laboratory data are compared with the diffuse interstellar band absorptions.


Direct link to Lay Summary Last update: 21.02.2013

Responsible applicant and co-applicants

Employees

Publications

Publication
Electronic Absorption Spectra of H2C6O+ Isomers: Produced by Ion Molecule Reactions
Chakraborty Arghya, Fulara Jan, Maier John P. (2015), Electronic Absorption Spectra of H2C6O+ Isomers: Produced by Ion Molecule Reactions, in JOURNAL OF PHYSICAL CHEMISTRY A, 119(1), 50-55.
Electronic spectra of astrophysically interesting cations
John P. Maier, Corey A. Rice, Fabio J. Mazzotti, Anatoly Johnson (2015), Electronic spectra of astrophysically interesting cations, in ICCMSE-2010, Kos, Greece.
Electronic Transitions of C5H3(+) and C5H3: Neon Matrix and CASPT2 Studies.
Fulara Jan, Chakraborty Arghya, Nagy Adam, Filipkowski Karol, Maier John P (2015), Electronic Transitions of C5H3(+) and C5H3: Neon Matrix and CASPT2 Studies., in The journal of physical chemistry. A, 119(11), 2338-43.
Gas-phase electronic transitions of C17H12N+ at 15 K
Hardy Francois X., Rice Corey A., Gause Oliver, Maier John Paul (2015), Gas-phase electronic transitions of C17H12N+ at 15 K, in Journal of Physical Chemistry A, 119(9), 1568-1572.
Laboratory Astrochemistry
Corey A. Rice, John P. Maier (2015), Laboratory Astrochemistry, VCH, Wiley, 15.
Spectroscopic characterization of C7H3+ and C7H3˙: electronic absorption and fluorescence in 6 K neon matrices
Chakraborty Arghya, Fulara Jan, Dietsche Rainer, Maier John P. (2014), Spectroscopic characterization of C7H3+ and C7H3˙: electronic absorption and fluorescence in 6 K neon matrices, in Physical Chemistry Chemical Physics , 16(15), 7023-7030.
(1)1A'- X1A' Electronic Transition of Protonated Coronene at 15 K
Rice C. A., Hardy F.-X., Gause O., Maier J. P. (2014), (1)1A'- X1A' Electronic Transition of Protonated Coronene at 15 K, in The Journal of Physical Chemistry Letters, 5, 942-945.
Electronic absorption spectra of linear C6Br and C6Br+ in neon matrices
Filipkowski Karol, Fulara Jan, Maier John Paul (2014), Electronic absorption spectra of linear C6Br and C6Br+ in neon matrices, in Journal of Molecular Spectroscopy, 000000.
Gas phase electronic spectra of carbon chains C-n (n=6-9)
Chen Xiaojing, Steglich Mathias, Gupta Varun, Rice Corey A., Maier John P. (2014), Gas phase electronic spectra of carbon chains C-n (n=6-9), in PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 16(3), 1161-1165.
Laboratory Electronic Spectra of Carbon Chains and Rings
Zack L. N., Maier J. P. (2014), Laboratory Electronic Spectra of Carbon Chains and Rings, in The Diffuse Interstellar Bands, Proc. IAU Symposium No. 297, Cambridge University Press.
The renner-teller effect observed in the à A1 and X B1 electronic states of H2S+
Duxbury Geoffrey, Jungen Ch H., Alijah Alexander, Maier John Paul, Klapstein Dieter (2014), The renner-teller effect observed in the à A1 and X B1 electronic states of H2S+, in Molecular Physics, 112(23), 3072-3084.
A Novel Method to Measure Electronic Spectra of Cold Molecular Ions
Chakrabarty Satrajit, Holz Mathias, Campbell Ewen K., Banerjee Agniva, Gerlich Dieter, Maier John P. (2013), A Novel Method to Measure Electronic Spectra of Cold Molecular Ions, in JOURNAL OF PHYSICAL CHEMISTRY LETTERS, 4(23), 4051-4054.
Absorptions in the visible of protonated pyrene collisionally cooled to 15 K
Hardy F. X., Gause O., Rice Corey A., Maier John Paul (2013), Absorptions in the visible of protonated pyrene collisionally cooled to 15 K, in Astrophysical Journal Letters, 778(2), L30.
Electronic Spectra and Reversible Photoisomerization of Protonated Naphthalenes in Solid Neon
Garkusha Iryna, Nagy Adam, Fulara Jan, Rode Michal F., Sobolewski Andrzej L., Maier John P. (2013), Electronic Spectra and Reversible Photoisomerization of Protonated Naphthalenes in Solid Neon, in JOURNAL OF PHYSICAL CHEMISTRY A, 117(2), 351-360.
Electronic Spectroscopy of a C7H4+ Isomer in a Neon Matrix: Methyltriacetylene Cation
Chakraborty Arghya, Fulara Jan, Maier John P. (2013), Electronic Spectroscopy of a C7H4+ Isomer in a Neon Matrix: Methyltriacetylene Cation, in Australian Journal of Chemistry, 67(3), 416-419.
Electronic spectroscopy of carbon chains and rings of astrophysical interest
Rice Corey A., Maier John Paul (2013), Electronic spectroscopy of carbon chains and rings of astrophysical interest, in Journal of Physical Chemistry A, 117(27), 5559-5566.
Electronic spectroscopy of transient species in solid neon: The indene-motif polycyclic hydrocarbon cation family C9H y + (y = 7-9) and their neutrals
Nagy Ádám Z., Garkusha Iryna, Fulara Jan, Maier John Paul (2013), Electronic spectroscopy of transient species in solid neon: The indene-motif polycyclic hydrocarbon cation family C9H y + (y = 7-9) and their neutrals, in Physical Chemistry Chemical Physics, 15(44), 19091-19101.
Electronic transitions of C6H4 + isomers: Neon matrix and theoretical studies
Fulara Jan, Nagy Ádám Z., Filipkowski Karol, Thimmakondu Venkatesan S., Stanton John F., Maier John Paul (2013), Electronic transitions of C6H4 + isomers: Neon matrix and theoretical studies, in Journal of Physical Chemistry A, 117(50), 13605-13615.
Structure of C6HF+ and C6F 2 + fragment ions from fluorobenzenes: Electronic spectra in 6 K neon matrices
Filipkowski Karol, Fulara Jan, Maier John Paul (2013), Structure of C6HF+ and C6F 2 + fragment ions from fluorobenzenes: Electronic spectra in 6 K neon matrices, in International Journal of Mass Spectrometry, 354-355, 188-192.
Electronic spectra of C4H3Cl+ isomers
Chakrabarty S., Rudnev V., Fulara J., Dietsche R., Nagy A., Garkusha I., Mazzotti F. J., Rice C. A., Maier J. P. (2012), Electronic spectra of C4H3Cl+ isomers, in MOLECULAR PHYSICS, 110(24), 3077-3084.
Fluorescence of protonated pyrene and coronene in neon matrices
Garkusha Iryna, Fulara Jan, Maier John P. (2012), Fluorescence of protonated pyrene and coronene in neon matrices, in JOURNAL OF MOLECULAR STRUCTURE, 1025, 147-150.
Ground and low-lying excited states of propadienylidene (H2C=C=C:) obtained by negative ion photoelectron spectroscopy
Stanton John F., Garand Etienne, Kim Jongjin, Yacovitch Tara I., Hock Christian, Case Amanda S., Miller Elisa M., Lu Yu-Ju, Vogelhuber Kristen M., Wren Scott W., Ichino Takatoshi, Maier John P., McMahon Robert J., Osborn David L., Neumark Daniel M., Lineberger W. Carl (2012), Ground and low-lying excited states of propadienylidene (H2C=C=C:) obtained by negative ion photoelectron spectroscopy, in JOURNAL OF CHEMICAL PHYSICS, 136(13), 134312.
The electronic spectrum of Si-3 I: Triplet D-3h system
Reilly N. J., Kokkin D. L., Zhuang X., Gupta V., Nagarajan R., Fortenberry R. C., Maier J. P., Steimle T. C., Stanton J. F., McCarthy M. C. (2012), The electronic spectrum of Si-3 I: Triplet D-3h system, in JOURNAL OF CHEMICAL PHYSICS, 136(19), 194307.
Three-level depletion by cavity ringdown absorption spectroscopy: proof of concept
Mazzotti Fabio J., Barrios Lizandra, Raghunandan Ranjini, Maier John P. (2012), Three-level depletion by cavity ringdown absorption spectroscopy: proof of concept, in MOLECULAR PHYSICS, 111(2), 333-342.
Electronic Absorption Spectra of C7O and C7O+ in Neon Matrices
S. Erattupuzha, J. Fulara, I. Garkusha, J. P. Maier, Electronic Absorption Spectra of C7O and C7O+ in Neon Matrices, in Molecular Physics.
Electronic Absorption Spectrum of Triacetylene Cation for Astronomical Considerations.
Chakrabarty S, Rice C A, Mazzotti F J, Dietsche R, Maier J P, Electronic Absorption Spectrum of Triacetylene Cation for Astronomical Considerations., in The journal of physical chemistry A.
Electronic Spectra of Astrophysically Interesting Cations
C. A. Rice, F. J. Mazzotti, A. Johnson, J. P. Maier, Electronic Spectra of Astrophysically Interesting Cations, in Proceedings of the International Conference of Computational Methods in Sciences and Engineering, Kos, Greece.
Electronic spectra of potential carriers of diffuse interstellar bands
C. A. Rice, J. P. Maier, Electronic spectra of potential carriers of diffuse interstellar bands, in S. Schlemmer, T. Giesen (ed.), Wiley, UK.
Laboratory Spectroscopy of Astrophysically Relevant Carbon Species
Zack L. N., Maier J. P., Laboratory Spectroscopy of Astrophysically Relevant Carbon Species, in Chem. Soc. Rev..
The A ^2Sigma^+ - X ^2Pi_i electronic transition of AgS
V. Gupta, F. J. Fazzotti, C. A. Rice, R. Nagarajan, J. P. Maier, The A ^2Sigma^+ - X ^2Pi_i electronic transition of AgS, in Journal of Molecular Spectroscopy.
UV spectra of iron-doped carbon clusters FeCn n = 3–6
Steglich Mathias, Chen Xiaojing, Johnson Anatoly, Maier John P., UV spectra of iron-doped carbon clusters FeCn n = 3–6, in International Journal of Mass Spectrometry, 1-5.

Collaboration

Group / person Country
Types of collaboration
Prof. J. Gauss, Department of Theoretical Chemistry, University of Mainz Germany (Europe)
- in-depth/constructive exchanges on approaches, methods or results
Prof. J. F. Stanton, Institute for theoretical chemistry, University of Texas, Austin United States of America (North America)
- Publication
Prof. D. Gerlich, Department of Physics, TU Chemnitz Germany (Europe)
- in-depth/constructive exchanges on approaches, methods or results
- Publication
Prof. P. Sarre, Dept.Chemistry, University of Nottingham Great Britain and Northern Ireland (Europe)
- in-depth/constructive exchanges on approaches, methods or results
- Publication
Prof. G. Walker, Department of Astronomy, University of British Columbia, Vancouver Canada (North America)
- Publication
Prof. L. Wöste, Department of Physics, Free University of Berlin Germany (Europe)
- in-depth/constructive exchanges on approaches, methods or results
- Research Infrastructure
Prof. W. C. Lineberger, JILA, University of Colorado, Boulder United States of America (North America)
- Publication
- Research Infrastructure
Prof. T. Steimle, Department Chemistry, University of Arizona, Tempe United States of America (North America)
- Publication
Prof. D. Nesbitt, JILA, University of Colorado, Boulder United States of America (North America)
- Industry/business/other use-inspired collaboration
Prof. G. B. Ellison, Department of Chemistry, University of Colorado Boulder United States of America (North America)
- in-depth/constructive exchanges on approaches, methods or results
- Research Infrastructure

Associated projects

Number Title Start Funding scheme
124349 Spectroscopic Characterization of Carbon Radicals and Ions 01.04.2009 Project funding

Abstract

The goal of this project is to measure the electronic spectra of larger radicals and cations for the first time. The choice of molecules is guided by the knowledge gained by us in this area over the past decades, offering us a significant advantage compared to other groups involved in a similar field of research. We have learned to produce the reactive species in situ in plasmas, using laser vaporization, electric discharges, electron impact and sputter sources. Our previous results enable us to choose the interesting species. In many of the cases, this is dictated by astronomical considerations and spectroscopic restrains. The species to be studied must have strong electronic transitions in the optical region, the excited state lifetimes should exceed a picosecond so that the linewidths are sufficiently narrow for them to be astrophysically relevant and should be chemically sensible. The transient molecules being concentrated on are carbon chains, rings, fullerenes, including those with oxygen, nitrogen, and metals, such as iron and magnesium.We use a number of techniques for first-time detection of electronic spectra. Some of these have mass-selection inherent to them; resonant enhanced ionization, ion confinement and mass-selected studies in neon matrices. The strategy to observe the transition of the species in neon matrices, both for neutrals and ions, has shown to be particularly powerful from past success. Improvements in the detection techniques, incorporation of new ion sources (magnetron sputter), and novel chemical reactions in the gas phase, opens the way to characterization of large systems such as protonated aromatics, metal containing carbon chains and unsaturated hydrocarbon radicals. In the gas phase measurements, multiphoton ionization, cavity ringdown and degenerate four-wave mixing spectroscopies are used for the neutral radicals. Mass-selected cations are stored in an 22-pole radiofrequency trap which have been collisionally cooled to ~20 K and the electronic transitions are searched for using action spectroscopies. Collaboration with astronomers, planetary scientists and physical chemists interested in the spectral characteristics of radicals continues. In the area of astronomy, specific species are targeted and compared with extraterrestrial data. On earth many of the transient species studied are intermediates in chemical reactions and laboratory data we acquire on their electronic transitions enables them to be monitored in dynamical studies.
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