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Vibrational and Rotational Spectral Data for Possible Interstellar Detection of AlH$_{3}$OH$_{2}$, SiH$_{3}$OH, and SiH$_{3}$NH$_{2}$

POSTER

Abstract

This is the first full set of vibrational and rotational spectral data needed to aid in the detection of AlH$_{3}$OH$_{2}$, SiH$_{3}$OH (silanol), and SiH$_{3}$NH$_{2}$ (silylamine) in astrophysical or simulated laboratory environments through the use of quantum chemical computations at the CCSD(T)-F12b level of theory employing quartic force fields for the three molecules of interest. Previous work has shown that SiH$_{3}$OH and SiH$_{3}$NH$_{2}$ contain some of the strongest bonds of the most abundant elements in space. AlH$_{3}$OH$_{2}$ also contains highly abundant atoms and represents an intermediate along the reaction pathway from H$_{2}$O and AlH$_{3}$ to AlH$_{2}$OH. All three of these molecules are also polar with AlH$_{3}$OH$_{2}$ having the largest dipole of 4.58 D and the other two having dipole moments in the 1.10--1.30 D range, large enough to allow for the detection of these molecules in space through rotational spectroscopy. The molecules also have substantial infrared intensities with many of the frequencies being over 90 km mol$^{-1}$ and falling within the currently uncertain 12--17 $\mu $m region of observed infrared spectra.

Authors

  • Alexandria Watrous

    University of Mississippi

  • Kristin Rabosky

    Middle Tennessee State University, University of Alabama Tuscaloosa, Swarthmore College, CT Clinical Innovation Center, Department of Radiology, Mayo Clinic, Rochester, MN, Bard College, Wright State University, University of Michigan, University of Hawai'i-Manoa, Rice University, University of Alaska Fairbanks, University of Utah, South Dakota School of Mines and Technology, Furman University, University of Notre Dame, Theoretical Physics Division, Institute of High Energy Physics, the Chinese Academy of Sciences, Peng Huanwu Center for Fundamental Theory, University of Science and Technology China, University of Cambridge, University of Kansas, SLAC National Accelerator Laboratory, Planetary Science Institute, Iowa State University, College of Idaho, University of Washington, Bothell, Ottawa Hills High School, Case Western Reserve University, Yale University and Strasbourg Astronomical Observatory, Yale University, Korea Astronomy and Space Science Institute, NOIRLab, Purdue University, Korea Instotute for Advanced Study, Perimeter Institute, Rutgers University, University of Maryland, Juniata College, Columbia University, City University of New York / American Museum of Natural History, Columbia University / American Museum of Natural History, Morehead State University, Hofstra University, Occidental College, Georgia Institute of Technology, School of Physics and Astronomy, University of Minnesota, The Oskar Klein Centre, Department of Astronomy, University of Mississippi, Stanford/KIPAC/SLAC, University of Connecticut, Kansas State University, Vassar College, Penn State, Department of Chemistry and Biochemistry, Worcester Polytechnic Institute, Department of Physics, Worcester Polytechnic Institute, Clark University, University of Illinois at Urbana-Champaign, Rhodes College, Rensselaer Polytechnic Institute, Harvard University, Cornell University, Air Force Research Lab, Wright-Patterson AFB, Ohio 45433, Air Force Research Lab, Wright-Patterson AFB, Ohio 45433 & UES, Inc., 4401 Dayton-Xenia Rd, Dayton, OH 45432, Department of Physics, University of Dayton, Dayton Ohio & Air Force Research Lab, Wright-Patterson AFB, Ohio 45433, Los Alamos National Laboratory, Utah State University, Ramapo College of NJ, Brookhaven National Laboratory, Research Center of Topological Functional Materials and Henan Key Laboratory of Photovoltaic Materials, Henan Univers., Brookhaven National Laboratory, Montclair State University, Weber State University

  • Kristin Rabosky

    Middle Tennessee State University, University of Alabama Tuscaloosa, Swarthmore College, CT Clinical Innovation Center, Department of Radiology, Mayo Clinic, Rochester, MN, Bard College, Wright State University, University of Michigan, University of Hawai'i-Manoa, Rice University, University of Alaska Fairbanks, University of Utah, South Dakota School of Mines and Technology, Furman University, University of Notre Dame, Theoretical Physics Division, Institute of High Energy Physics, the Chinese Academy of Sciences, Peng Huanwu Center for Fundamental Theory, University of Science and Technology China, University of Cambridge, University of Kansas, SLAC National Accelerator Laboratory, Planetary Science Institute, Iowa State University, College of Idaho, University of Washington, Bothell, Ottawa Hills High School, Case Western Reserve University, Yale University and Strasbourg Astronomical Observatory, Yale University, Korea Astronomy and Space Science Institute, NOIRLab, Purdue University, Korea Instotute for Advanced Study, Perimeter Institute, Rutgers University, University of Maryland, Juniata College, Columbia University, City University of New York / American Museum of Natural History, Columbia University / American Museum of Natural History, Morehead State University, Hofstra University, Occidental College, Georgia Institute of Technology, School of Physics and Astronomy, University of Minnesota, The Oskar Klein Centre, Department of Astronomy, University of Mississippi, Stanford/KIPAC/SLAC, University of Connecticut, Kansas State University, Vassar College, Penn State, Department of Chemistry and Biochemistry, Worcester Polytechnic Institute, Department of Physics, Worcester Polytechnic Institute, Clark University, University of Illinois at Urbana-Champaign, Rhodes College, Rensselaer Polytechnic Institute, Harvard University, Cornell University, Air Force Research Lab, Wright-Patterson AFB, Ohio 45433, Air Force Research Lab, Wright-Patterson AFB, Ohio 45433 & UES, Inc., 4401 Dayton-Xenia Rd, Dayton, OH 45432, Department of Physics, University of Dayton, Dayton Ohio & Air Force Research Lab, Wright-Patterson AFB, Ohio 45433, Los Alamos National Laboratory, Utah State University, Ramapo College of NJ, Brookhaven National Laboratory, Research Center of Topological Functional Materials and Henan Key Laboratory of Photovoltaic Materials, Henan Univers., Brookhaven National Laboratory, Montclair State University, Weber State University

  • Kristin Rabosky

    Middle Tennessee State University, University of Alabama Tuscaloosa, Swarthmore College, CT Clinical Innovation Center, Department of Radiology, Mayo Clinic, Rochester, MN, Bard College, Wright State University, University of Michigan, University of Hawai'i-Manoa, Rice University, University of Alaska Fairbanks, University of Utah, South Dakota School of Mines and Technology, Furman University, University of Notre Dame, Theoretical Physics Division, Institute of High Energy Physics, the Chinese Academy of Sciences, Peng Huanwu Center for Fundamental Theory, University of Science and Technology China, University of Cambridge, University of Kansas, SLAC National Accelerator Laboratory, Planetary Science Institute, Iowa State University, College of Idaho, University of Washington, Bothell, Ottawa Hills High School, Case Western Reserve University, Yale University and Strasbourg Astronomical Observatory, Yale University, Korea Astronomy and Space Science Institute, NOIRLab, Purdue University, Korea Instotute for Advanced Study, Perimeter Institute, Rutgers University, University of Maryland, Juniata College, Columbia University, City University of New York / American Museum of Natural History, Columbia University / American Museum of Natural History, Morehead State University, Hofstra University, Occidental College, Georgia Institute of Technology, School of Physics and Astronomy, University of Minnesota, The Oskar Klein Centre, Department of Astronomy, University of Mississippi, Stanford/KIPAC/SLAC, University of Connecticut, Kansas State University, Vassar College, Penn State, Department of Chemistry and Biochemistry, Worcester Polytechnic Institute, Department of Physics, Worcester Polytechnic Institute, Clark University, University of Illinois at Urbana-Champaign, Rhodes College, Rensselaer Polytechnic Institute, Harvard University, Cornell University, Air Force Research Lab, Wright-Patterson AFB, Ohio 45433, Air Force Research Lab, Wright-Patterson AFB, Ohio 45433 & UES, Inc., 4401 Dayton-Xenia Rd, Dayton, OH 45432, Department of Physics, University of Dayton, Dayton Ohio & Air Force Research Lab, Wright-Patterson AFB, Ohio 45433, Los Alamos National Laboratory, Utah State University, Ramapo College of NJ, Brookhaven National Laboratory, Research Center of Topological Functional Materials and Henan Key Laboratory of Photovoltaic Materials, Henan Univers., Brookhaven National Laboratory, Montclair State University, Weber State University