Matrix-Isolation Spectroscopy and Computational Studies of Reactive Organic Molecules of Relevance to Interstellar Space

Details Matrix-Isolation Spectroscopy and Computational Studies of Reactive Organic Molecules of Relevance to Interstellar Space Matrix-Isolation Spectroscopy and Computational Studies of Reactive Organic Molecules of Relevance to Interstellar Space

Oct 2011

adsabs.harvard.edu/cgi-bin/nph-data_query?bibcode=2011mwac.meet..p01k&link_type=abstract

Midwest Astrochemistry Meeting 2011, held 21-22 October at the University of Illinois at Urbana-Champaign. http://midwest.astroc

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Matrix isolation, the process of trapping a molecule in an inert gas at low temperature, provides a means for studying highly reactive intermediates, such as carbenes or radicals. Reactive species can be characterized by IR, UV-vis and/or EPR spectroscopy. Comparison of experimental and computed spectral data, as well as chemical reactivity, is used for structural assignment.
Highly-unsaturated carbon chains are well known compounds in the interstellar medium (ISM). Detection of these molecules relies mostly on radioastronomy, making the detection of the linear HC2nH series difficult. The electronic structure changes from even carbon chain lengths (HC2nH) to odd chain lengths (HC2n+1H), changing from closed shell to open shell species. The odd series further alternate from a diradical character (HC3H) to a localized carbene (HC5H). This poster will present the synthesis and spectroscopy of the HC3H and HC7H species and derivatives.
The study of arylcarbenes is vital to understanding the chemistry of carbon-rich environments, such as discharges, interstellar clouds, and circumstellar envelopes. The identification of small, sulfur containing molecules, and the identification of aromatics in the ISM make future thiophene and benzothiophene detections a real possibility. Studies on 2- and 3- diazomethyl substituted benzothiophenes are underway to assess their photochemical reactivity and potential for forming benzothiophene carbenes.
Macrocylic polyynes are proposed to be involved in carbon condensation via the ring coalescence and annealing model to produce graphitic sheets or fullerenes. To simplify a complex system we are computationally studying the series of ethynyl-substituted cyclobutadienes and their possible involvement in the build-up of larger carbon containing molecules in the ISM.

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