Propyne: Determination of Physical Properties and Unit Cell Parameters under Titan-Relevant Conditions

Marlin, Theresa C.; Cable, Morgan L.; Vu, Tuan H.; Maynard-Casely, Helen E.; Ugelow, Melissa; Anderson, Carrie; Hodyss, Robert

doi:10.1021/acsearthspacechem.3c00303

Propyne: Determination of Physical Properties and Unit Cell Parameters under Titan-Relevant Conditions

Journal Article · Tue Apr 16 00:00:00 EDT 2024 · ACS Earth and Space Chemistry

DOI:https://doi.org/10.1021/acsearthspacechem.3c00303· OSTI ID:2470171

^[1]; ^[2]; ^[2]; ^[3]; Ugelow, Melissa ^[4]; Anderson, Carrie ^[4]; Hodyss, Robert ^[2]

California Institute of Technology (CalTech), Pasadena, CA (United States). Jet Propulsion Lab. (JPL); California Institute of Technology (CalTech), Pasadena, CA (United States)
California Institute of Technology (CalTech), Pasadena, CA (United States). Jet Propulsion Lab. (JPL)
Australian Nuclear Science and Technology Organisation (ANSTO), Kirrawee, NSW (Australia)
NASA Goddard Space Flight Center (GSFC), Greenbelt, MD (United States)

With its large size, dense atmosphere, methane-based hydrological-like cycle, and diverse surface features, the Saturnian moon Titan is one of the most unique of the outer Solar System satellites. Study of the photochemically produced molecules in Titan’s atmosphere is critical in order to understand the mechanics of the atmosphere and, by extension, the interactions between atmosphere, surface, and subsurface water ocean. One example is propyne vapor, a photochemically produced species in Titan’s upper atmosphere expected to condense in Titan’s stratosphere at lower altitudes. Propyne may also be a trace species in Titan’s stratospheric co-condensed ice clouds detected by the Cassini Composite InfraRed Spectrometer. Bulk structural characterization of propyne ice is currently incomplete and is lacking in published laboratory Raman spectra and X-ray diffraction data. Here, we present a laboratory characterization of propyne ice, including the first published X-ray diffraction and Raman spectroscopy results for propyne ice.

View Accepted Manuscript (DOE)

Research Organization:: Argonne National Laboratory (ANL), Argonne, IL (United States). Advanced Photon Source (APS)

Sponsoring Organization:: USDOE Office of Science (SC); National Aeronautics and Space Administration (NASA)

Grant/Contract Number:: AC02-06CH11357

OSTI ID:: 2470171

Journal Information:: ACS Earth and Space Chemistry, Journal Name: ACS Earth and Space Chemistry Journal Issue: 5 Vol. 8; ISSN 2472-3452

Publisher:: American Chemical Society (ACS)Copyright Statement

Country of Publication:: United States

Language:: English

References (35)

The Melting Point Alternation in the Short-Chainn-Alkanes: Single-Crystal X-Ray Analyses of Propane at 30 K and ofn-Butane ton-Nonane at 90 K Boese, Roland; Weiss, Hans-Christoph; Bläser, Dieter Angewandte Chemie International Edition, Vol. 38, Issue 7 https://doi.org/10.1002/(SICI)1521-3773(19990401)38:7<988::AID-ANIE988>3.0.CO;2-0	journal	April 1999
Titan's atmosphere and climate: TITAN'S ATMOSPHERE Hörst, S. M. Journal of Geophysical Research: Planets, Vol. 122, Issue 3 https://doi.org/10.1002/2016JE005240	journal	March 2017
Raman spectra and vibrational dephasing of methylacetylene Kalasinsky, V. F.; Little, T. S. Journal of Raman Spectroscopy, Vol. 14, Issue 4 https://doi.org/10.1002/jrs.1250140408	journal	August 1983
Organic Ices in Titan’s Stratosphere Anderson, C. M.; Samuelson, R. E.; Nna-Mvondo, D. Space Science Reviews, Vol. 214, Issue 8 https://doi.org/10.1007/s11214-018-0559-5	journal	November 2018
Normal coordinates and potential energy distributions of methyl acetylene and some halogen substituted analogues Whitmer, John C. Journal of Molecular Structure, Vol. 21, Issue 2 https://doi.org/10.1016/0022-2860(74)80044-X	journal	May 1974
A photochemical model of Titan's atmosphere and ionosphere Krasnopolsky, Vladimir A. Icarus, Vol. 201, Issue 1 https://doi.org/10.1016/j.icarus.2008.12.038	journal	May 2009
Titan's stratospheric C2N2, C3H4, and C4H2 abundances from Cassini/CIRS far-infrared spectra Teanby, N. A.; Irwin, P. G. J.; de Kok, R. Icarus, Vol. 202, Issue 2 https://doi.org/10.1016/j.icarus.2009.03.022	journal	August 2009
Infrared spectra and optical constants of astronomical ices: I. Amorphous and crystalline acetylene Hudson, R. L.; Ferrante, R. F.; Moore, M. H. Icarus, Vol. 228 https://doi.org/10.1016/j.icarus.2013.08.029	journal	January 2014
Seasonal variations in Titan’s middle atmosphere during the northern spring derived from Cassini/CIRS observations Vinatier, Sandrine; Bézard, Bruno; Lebonnois, Sébastien Icarus, Vol. 250 https://doi.org/10.1016/j.icarus.2014.11.019	journal	April 2015
Titan’s temporal evolution in stratospheric trace gases near the poles Coustenis, Athena; Jennings, Donald E.; Achterberg, Richard K. Icarus, Vol. 270 https://doi.org/10.1016/j.icarus.2015.08.027	journal	May 2016
Simulating the density of organic species in the atmosphere of Titan with a coupled ion-neutral photochemical model Vuitton, V.; Yelle, R. V.; Klippenstein, S. J. Icarus, Vol. 324 https://doi.org/10.1016/j.icarus.2018.06.013	journal	May 2019
Spatial and seasonal variations in C3H hydrocarbon abundance in Titan’s stratosphere from Cassini CIRS observations Lombardo, Nicholas A.; Nixon, Conor A.; Achterberg, Richard K. Icarus, Vol. 317 https://doi.org/10.1016/j.icarus.2018.08.027	journal	January 2019
Abundance measurements of Titan’s stratospheric HCN, HC3N, C3H4, and CH3CN from ALMA observations Thelen, Alexander E.; Nixon, C. A.; Chanover, N. J. Icarus, Vol. 319 https://doi.org/10.1016/j.icarus.2018.09.023	journal	February 2019
Seasonal changes in the middle atmosphere of Titan from Cassini/CIRS observations: Temperature and trace species abundance profiles from 2004 to 2017 Mathé, Christophe; Vinatier, Sandrine; Bézard, Bruno Icarus, Vol. 344 https://doi.org/10.1016/j.icarus.2019.113547	journal	July 2020
Infrared spectra and optical constants of astronomical ices: III. Propane, propylene, and propyne Hudson, Reggie L.; Gerakines, Perry A.; Yarnall, Yukiko Y. Icarus, Vol. 354 https://doi.org/10.1016/j.icarus.2020.114033	journal	January 2021
Titan in a Test Tube: Organic Co-crystals and Implications for Titan Mineralogy Cable, Morgan L.; Runčevski, Tomče; Maynard-Casely, Helen E. Accounts of Chemical Research, Vol. 54, Issue 15 https://doi.org/10.1021/acs.accounts.1c00250	journal	July 2021
Properties and Behavior of the Acetonitrile–Acetylene Co-Crystal under Titan Surface Conditions Cable, Morgan L.; Vu, Tuan H.; Malaska, Michael J. ACS Earth and Space Chemistry, Vol. 4, Issue 8 https://doi.org/10.1021/acsearthspacechem.0c00129	journal	July 2020
1,3-Butadiene on Titan: Crystal Structure, Thermal Expansivity, and Raman Signatures Vu, Tuan H.; Maynard-Casely, Helen E.; Cable, Morgan L. ACS Earth and Space Chemistry, Vol. 6, Issue 10 https://doi.org/10.1021/acsearthspacechem.1c00364	journal	October 2022
The Acetylene-Ammonia Co-crystal on Titan Cable, Morgan L.; Vu, Tuan H.; Maynard-Casely, Helen E. ACS Earth and Space Chemistry, Vol. 2, Issue 4 https://doi.org/10.1021/acsearthspacechem.7b00135	journal	February 2018
Ultraviolet Spectroscopy and Photochemistry of SO₂/H₂O Ices Hodyss, Robert; Johnson, Paul V.; Meckler, Stephen M. ACS Earth and Space Chemistry, Vol. 3, Issue 4 https://doi.org/10.1021/acsearthspacechem.9b00034	journal	March 2019
Photochemistry of Ozone–Water Ices Johnson, Paul V.; Markus, Charles R.; Hodyss, Robert ACS Earth and Space Chemistry, Vol. 3, Issue 11 https://doi.org/10.1021/acsearthspacechem.9b00189	journal	September 2019
A Co-Crystal between Acetylene and Butane: A Potentially Ubiquitous Molecular Mineral on Titan Cable, Morgan L.; Vu, Tuan H.; Malaska, Michael J. ACS Earth and Space Chemistry, Vol. 3, Issue 12 https://doi.org/10.1021/acsearthspacechem.9b00275	journal	November 2019
Vertical distribution of Titan's atmospheric neutral constituents Lara, L. M.; Lellouch, E.; López-Moreno, J. J. Journal of Geophysical Research: Planets, Vol. 101, Issue E10 https://doi.org/10.1029/96JE02036	journal	October 1996
C3H8 and C3H4 in Titan's atmosphere Maguire, W. C.; Hanel, R. A.; Jennings, D. E. Nature, Vol. 292, Issue 5825 https://doi.org/10.1038/292683a0	journal	August 1981
Active upper-atmosphere chemistry and dynamics from polar circulation reversal on Titan Teanby, Nicholas A.; Irwin, Patrick G. J.; Nixon, Conor A. Nature, Vol. 491, Issue 7426 https://doi.org/10.1038/nature11611	journal	November 2012
Seasonal evolution of C₂N₂, C₃H₄, and C₄H₂ abundances in Titan’s lower stratosphere Sylvestre, M.; Teanby, N. A.; Vinatier, S. Astronomy & Astrophysics, Vol. 609 https://doi.org/10.1051/0004-6361/201630255	journal	January 2018
Infrared Spectra of Rapidly Solidified Vapors Malherbe, F. E.; Bernstein, H. J. The Journal of Chemical Physics, Vol. 19, Issue 12 https://doi.org/10.1063/1.1748132	journal	December 1951
Infra-Red and Raman Spectra of Polyatomic Molecules XII. Methyl Acetylene Crawford, Bryce L. The Journal of Chemical Physics, Vol. 8, Issue 7 https://doi.org/10.1063/1.1750706	journal	July 1940
Photochemistry of the atmosphere of Titan - Comparison between model and observations Yung, Y. L.; Allen, M.; Pinto, J. P. The Astrophysical Journal Supplement Series, Vol. 55 https://doi.org/10.1086/190963	journal	June 1984
Ethyl Cyanide on Titan: Spectroscopic Detection and Mapping Using alma Cordiner, M. A.; Palmer, M. Y.; Nixon, C. A. The Astrophysical Journal, Vol. 800, Issue 1 https://doi.org/10.1088/2041-8205/800/1/L14	journal	February 2015
TOPAS and TOPAS-Academic : an optimization program integrating computer algebra and crystallographic objects written in C++ Coelho, Alan A. Journal of Applied Crystallography, Vol. 51, Issue 1 https://doi.org/10.1107/S1600576718000183	journal	February 2018
A co-crystal between benzene and ethane: a potential evaporite material for Saturn's moon Titan Maynard-Casely, Helen E.; Hodyss, Robert; Cable, Morgan L. IUCrJ, Vol. 3, Issue 3 https://doi.org/10.1107/S2052252516002815	journal	March 2016
Thermal Reaction in Cometary and Pre-cometary Ices: Formation of Thiocarbamate in OCS-CH₃NH₂ Mixed Ices Mahjoub, Ahmed; Hodyss, Robert The Astrophysical Journal, Vol. 869, Issue 2 https://doi.org/10.3847/1538-4357/aaec09	journal	December 2018
Seasonal Evolution of Titan's Stratosphere Near the Poles Coustenis, A.; Jennings, D. E.; Achterberg, R. K. The Astrophysical Journal Letters, Vol. 854, Issue 2 https://doi.org/10.3847/2041-8213/aaadbd	journal	February 2018
Experimental Investigation of the Acetylene–Benzene Cocrystal on Titan Czaplinski, Ellen; Yu 余, Xinting 馨婷; Dzurilla, Katherine The Planetary Science Journal, Vol. 1, Issue 3 https://doi.org/10.3847/PSJ/abbf57	journal	December 2020

Similar Records

ICES ON TITAN: LABORATORY MEASUREMENTS THAT COMPLEMENT THE HUYGENS PROBE

Technical Report · Tue Aug 01 00:00:00 EDT 2000 · OSTI ID:768737

Propane clusters in Titan’s lower atmosphere: insights from a combined theory/laboratory study

Journal Article · Wed Jun 26 00:00:00 EDT 2019 · Monthly Notices of the Royal Astronomical Society · OSTI ID:1635115

Related Subjects

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
Amorphous
Chemistry
Crystalline
Deposition
Diffraction
Geochemistry & Geophysics
Ice
Infrared
Infrared light
Phase transitions
Propyne
Raman
Raman spectroscopy
Spectroscopy
X-ray diffraction

Propyne: Determination of Physical Properties and Unit Cell Parameters under Titan-Relevant Conditions

Citation Formats

References (35)

Similar Records

Related Subjects