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Research

The NSF CCI Astrochemistry in Charlottesville is establishing a new collaborative research community that combines chemists with expertise in state-of-the-art instrumentation for chemical dynamics research with a group that has pioneered the field of astrochemistry through laboratory work, astronomical observation, and theoretical modeling.

 

Together these groups are working to move chemistry to the center of international efforts to understand the fundamental chemical processes that produce the first molecules in the interstellar medium.

 

The two major research areas of the CCU are Molecular Spectroscopy and Reaction Dynamics.

 

Astrochemistry in Charlottesville Publications

[1] M. Rajappan, C. Yuan and J.T. Yates, Jr., “Lyman-α Driven Molecule Formation on SiO2 Surfaces-Connection to Astrochemistry on Dust Grains in the Interstellar Medium,” The Journal of Chemical Physics, 134, (2011).

[2] J. C. Laas, R. T. Garrod, E. Herbst & S. L. Widicus Weaver, "Contributions from Grain Surface and Gas Phase Chemistry to the Formation of Methyl Formate and Its Structural Isomers," The Astrophysical Journal, 728, 71-79 (2011).

[3] V. Wakelam, I. W. M. Smith, E. Herbst, J. Troe, W. Geppert, H. Linnartz, K. Oeberg, E. Roueff, M. Agundez, P. Pernot, H. M. Cuppen, J. C. Loison, & D. Talbi, “Reaction Networks for Interstellar Chemical Modeling: Improvements and Challenges,” Space Science Reviews, 2010 (published on-line November 24, 2010).

[4] G. R. Adande, D.T. Halfen, L. M. Ziurys, D. Quan, E. Herbst, “Observation of the [HNCS]/[HSCN] Ratio in Sgr B2 and TMC-1: Evidence for Low-Temperature Gas-Phase Chemistry,” Astrophys. J. 725, 561-570 (2010).

[5] F. J. Lovas, D. F. Plusquellic, S. L. Widicus Weaver, B. A. McGuire, G. A. Blake, “Organic compounds in the C3H6O3 family: Microwave spectrum of cis-cis-dimethyl carbonate”, J. Mol. Spectrosc., 264, 10-18 (2010).

[6] B.H. Pate and K.K. Lehmann, “Chirped Pulse Frequency Combs (CPFC) for Spectroscopy form Microwave to Infrared Frequencies”, US Patent Application Serial No. 61/355,862, June 2010.

[7] N. Harada, E. Herbst, and V. Wakelam, “A New Network for Higher-Temperature Gas-Phase Chemistry. I. A Preliminary Study of Accretion Disks in Active Galactic Nuclei,” Astrophys. J. 721, 1570-1578 (2010).

[8] G. E. Hassel, E. Herbst, and E. A. Bergin, "Beyond the Pseudo-time-dependent Approach: Chemical Models of Dense Core Precursors, Astron. Astrophys., 515, A66 (2010).

[9] E. Herbst, E. Roueff, and D. Talbi, “Radiative association and the formation of interstellar propylene,” Mol. Phys., (2010), DOI: 10.1080/00268976.2010.494631.

[10] V. Lattanzi, S. Thorwirth, D. T. Halfen, L. A. Muck, L. M. Ziurys, P. Thaddeus, J. Gauss, M. C. McCarthy, “Bonding in the Heavy Analogue of Hydrogen Cyanide: The Curious Case of Bridged HPSi.”, Angew. Chem. Int. Ed. 49, 5661-5664 (2010).

[11] N. Marcelino, S. Bruenken, J. Cernicharo, D. Quan, E. Roueff, E. Herbst, and P. Thaddeus, "The Puzzling Behavior of HNCO Isomers in Molecular Clouds”, Astron. Astrophys. 516, A105 (2010).

[12] A. A. von Prochazka, A. J. Remijan, D. S. Balser, R. S. I. Ryans, A. H. Marshall, F. R. Schwab, J. M. Hollis, P. R. Jewell, and F. J. Lovas, "Detection of Voigt Spectral Line Profiles of Hydrogen Radio Recombination Lines toward Sagittarius B2(N)”, Pub. Astr. Soc. Pac., 122, 354-362 (2010).

[13] M. Rajappan, M. Buttner, C. Cox, and J.T. Yates, Jr., “Photochemical Decomposition of N2O by Lyman-α Radiation: Scientific Basis for a Chemical Actinometer”, J. Phys. Chem. A 114, 3443-3448 (2010).

[14] Y.-S. J. Shiao, L. W. Looney, A. J. Remijan, L. E. Snyder, and D. N. Friedel, “First Acetic Acid Survey with CARMA in Hot Molecular CoresAstrophys. J., 716, 286-289 (2010).

[15] V. Wakelam, E. Herbst, J. Le Boulot, F. Hersant, F. Selsis, & S. Guilloteau, “Sensitivity analyses of dense cloud chemical models,” Astron. Astrophys., 517, A21 (2010), DOI: 10.1051/0004-6361/200913856.

[16] D. T. Halfen, L. M. Ziurys, S. Brünken, C. A. Gottlieb, M. C. McCarthy, and P. Thaddeus, "Detection of a New Interstellar Molecule: Thiocyanic Acid HSCN”, Astrophys. J., 702, L124-L127 (2009).

[17] F. J. Lovas, D. F. Plusquellic, B. H. Pate, J. L. Neill, M. T. Muckle, and A. J. Remijan, "Microwave spectrum of 1,2-propanediolJ. Mol. Spectrosc., 257, 82-93 (2009).

[18] D. F. Plusquellic, F. J. Lovas, B. H. Pate, J. L. Neill, M. T. Muckle, and A. J. Remijan, "Distinguishing tunneling pathways for two chiral conformer pairs of 1,3-propanediol from the microwave spectrum”, J. Phys. Chem. A , 113, 12911-12918 (2009).

[19] D.E. Woon and E. Herbst, “Quantum Chemical Predictions of the Properties of Known and Postulated Neutral Interstellar Molecules,” Astrophys. J. Suppl., 185, 273-288 (2009).