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At least 361 records · Page 20

Infrared Spectra, Index of Refraction, and Optical Constants of Nitrile Ices Relevant to Titan's Atmosphere

Spectra and optical constants of nitrite ices known or suspected to be in Titan's atmosphere are presented from 2.5 to 200 microns (4000 to 50 per cm ). These results are relevant to the ongoing modeling of Cassini CIRS observations of Titan's winter pole. Ices studied include: HCN, hydrogen cyanide; C2N2, cyanogen; CH3CN, acetonitrile; C 2H5CN, propionitrile; and HC3N, cyanoacetylene. For each of these molecules we report new measurements of the index of refraction, n, determined in both the amorphous- and crystallinephase at 670 nm. Spectra were measured and optical constants were calculated for each nitrite at a variety of temperatures including 20, 35, 50, 75, 95, and 110 K, in the amorphous- and crystalline-phase. This laboratory effort uses a dedicated FTIR spectrometer to record transmission spectra of thin-film ice samples. Laser interference is used to measure film thickness during condensation onto a transparent cold window attached to the tail section of a closed-cycle helium cryostat. Optical constants, real (n) and imaginary (k) refractive indices, are determined using Kramers-Kronig (K-K) analysis. Our calculation reproduces the complete spectrum, including all interference effects. Index of refraction measurements are made in a separate dedicated FTIR spectrometer where interference deposit fringes are measured using two 670 nm lasers at different angles to the ice substrate. A survey of these new measurements will be presented along with a discussion of their validation, errors, and application to Titan data.

Moore, Marla↗

Infrared Spectra and Optical Constants of Nitrile Ices Relevant to Titan's Atmosphere

Spectra and optical constants of nitrile ices known or suspected to be in Titan?s atmosphere have been determined from 2.0 to 333.3 microns (approx.5000 to 30/cm). These results are relevant to the ongoing modeling of Cassini CIRS observations of Titan?s winter pole. Ices studied were: HCN, hydrogen cyanide; C2N2, cyanogen; CH3CN, acetonitrile; C2H5CN, propionitrile; and HC3N, cyanoacetylene. Optical constants were calculated, using Kramers-Kronig analysis, for each nitrile ice?s spectrum measured at a variety of temperatures, in both the amorphous- and crystalline phases. Spectra were also measured for many of the nitriles after quenching at the annealing temperature and compared with those of annealed ices. For each of these molecules we also measured the real component, n, of the refractive index for amorphous and crystalline phases at 670 nm. Several examples of the information contained in these new data sets and their usefulness in modeling Titan?s observed features will be presented (e.g., the broad emission feature at 160/cm; Anderson and Samuelson, 2011).

Anderson, Carrie↗

Cloud Condensation in Titan's Lower Stratosphere

A 1-D condensation model is developed for the purpose of reproducing ice clouds in Titan's lower stratosphere observed by the Composite Infrared Spectrometer (CIRS) onboard Cassini. Hydrogen cyanide (HCN), cyanoacetylene (HC3N), and ethane (C2H6) vapors are treated as chemically inert gas species that flow from an upper boundary at 500 km to a condensation sink near Titan's tropopause (-45 km). Gas vertical profiles are determined from eddy mixing and a downward flux at the upper boundary. The condensation sink is based upon diffusive growth of the cloud particles and is proportional to the degree of supersaturation in the cloud formation regIOn. Observations of the vapor phase abundances above the condensation levels and the locations and properties of the ice clouds provide constraints on the free parameters in the model. Vapor phase abundances are determined from CIRS mid-IR observations, whereas cloud particle sizes, altitudes, and latitudinal distributions are derived from analyses of CIRS far-IR observations of Titan. Specific cloud constraints include: I) mean particle radii of2-3 J.lm inferred from the V6 506 cm- band of HC3N, 2) latitudinal abundance distributions of condensed nitriles, inferred from a composite emission feature that peaks at 160/cm , and 3) a possible hydrocarbon cloud layer at high latitudes, located near an altitude of 60 km, which peaks between 60 and 80 cm l . Nitrile abundances appear to diminish substantially at high northern latitudes over the time period 2005 to 2010 (northern mid winter to early spring). Use of multiple gas species provides a consistency check on the eddy mixing coefficient profile. The flux at the upper boundary is the net column chemical production from the upper atmosphere and provides a constraint on chemical pathways leading to the production of these compounds. Comparison of the differing lifetimes, vapor phase transport, vapor phase loss rate, and particle sedimentation, sheds light on temporal stability of the clouds.

Romani, Paul N.↗

Portable Multigas Monitors for International Space Station

The Environmental Health System (EHS) on International Space Station (ISS) includes portable instruments to measure various cabin gases that acutely impact crew health. These hand-held devices measure oxygen, carbon dioxide, carbon monoxide, hydrogen chloride and hydrogen cyanide. The oxygen and carbon dioxide units also serve to back up key functions of the Major Constituent Analyzers. Wherever possible, commercial off-the-shelf (COTS) devices are employed by EHS to save development and sustaining costs. COTS hardware designed for general terrestrial applications however has limitations such as no pressure compensation, limited life of the active sensor, calibration drift, battery issues, unpredictable vendor support and obsolescence. The EHS fleet (inflight and ground inventory) of instruments is both aging and dwindling in number. With the retirement of the US Space Shuttle, maintenance of on-orbit equipment becomes all the more difficult. A project is underway to search for gas monitoring technology that is highly reliable and stable for years. Tunable Diode Laser Spectroscopy (TDLS) seems to be the front-runner technology, but generally is not yet commercially available in portable form. NASA has fostered the development of TDLS through the Small Business Innovative Research (SBIR) program. A number of gases of interest to the aerospace and submarine communities can be addressed by TDLS including the list mentioned above plus hydrogen fluoride, ammonia and water (humidity). There are several different forms of TDLS including photoacoustic and direct absorption spectroscopy using various multipass cell geometries. This paper describes the history of portable gas monitoring on NASA spacecraft and provides a status of the development of TDLS based instruments. Planned TDLS flight experiments on ISS could lead both to operational use on ISS and important roles in future Exploration spacecraft and habitats.

Mudgett, Paul D.↗

A "Warm Formamide" Scenario for the Origins of Life Might not be so Hot: Comment on "Formamide and the Origin of Life"

In this review, Saladino et al. present an intriguing hypothesis surrounding the role of formamide in the origins of life on Earth, backed by experimental results supporting each step from formamide to RNA polymers. The overall premise is that, from formamide and inorganic phosphate, RNA molecules over 100 nucleotides in length can be produced. In addition, many carboxylic acids likely relevant to prebiotic metabolism, are formed along the way. Thus, from a rather simple organic molecule that has been observed in outer space (formamide), you can generate many of the compounds necessary for the origins of life. However, because high temperatures (160 C) are required for the formamide reactions, it remains unclear where the "warm formamide" scenario could have occurred. Low-temperature, aqueous hydrogen cyanide-based prebiotic chemistry that we know actually happened has been shown to produce many of the molecules invoked in the formamide hypothesis: amino acids, carboxylic acids, sugar acids, and nucleobases have all been found in meteorites recovered on Earth, providing a plausible route for their synthesis and delivery. In contrast, a large portion of the formamide hypothesis is based on relatively hightemperature reactions, A plausible milieu for high-temperature reactions with concentrated formamide is yet to be described, and is critical for this hypothesis to be validated. Hydrothermal vents are attractive heat sources, and the higher boiling point of formamide has been invoked as a mechanism to concentrate it from an aqueous solution, Unless the water can actually evaporate, however, there would be no net enrichment. For example, in the context of a deep-sea vent, any water "removed" by heating would be quickly replaced. Some of the individual reactions underpinning the present hypothesis have been met with skepticism because they go against conventional wisdom, To name a few of the surprising results: the observation that nucleosides can be converted to cyclic phosphates when heated in the presence of minerals and inorganie phosphate; that 3'-5' cGMP and cAMP nucleotides polymerize rapidly into RNA oligomers, even in the absence of monovalent counterions and that end-to-end ligation reactions between RNA oligomers occur in essentially pure water, without requiring any activating groups or counterions. Because the polymerization reactions are simply transesterification reactions, that they readily occur in the absence of cations makes one wonder why nearly all ribozyme-catalyzed transesterification reactions are metal-ion dependent; similarly, that the end-to-end ligation reactions do not require activation runs counter to the observation that all protein-catalyzed ligation and polymerization reactions of RNA and DNA require activated substrates. Detailed mechanistic studies of the reported reactions are warranted and could provide important insights for understanding the chemistry behind the origins of life. Because the authors have produced many of the experimental results supporting their hypothesis, they could demonstrate the validity of their hypothesis by converting formamide into approx 100 nucleotide RNA oligomers, using the products of one reaction as the reactants for the next reaction, under specific conditions plausible on the pre-biotic Earth. Such a demonstration would represent a milestone for our understanding of the origins of life.

Burton, Aaron S.↗

Chemical Pollution from Combustion of Modern Spacecraft Materials

Fire is one of the most critical contingencies in spacecraft and any closed environment including submarines. Currently, NASA uses particle based technology to detect fires and hand-held combustion product monitors to track the clean-up and restoration of habitable cabin environment after the fire is extinguished. In the future, chemical detection could augment particle detection to eliminate frequent nuisance false alarms triggered by dust. In the interest of understanding combustion from both particulate and chemical generation, NASA Centers have been collaborating on combustion studies at White Sands Test Facility using modern spacecraft materials as fuels, and both old and new technology to measure the chemical and particulate products of combustion. The tests attempted to study smoldering pyrolysis at relatively low temperatures without ignition to flaming conditions. This paper will summarize the results of two 1-week long tests undertaken in 2012, focusing on the chemical products of combustion. The results confirm the key chemical products are carbon monoxide (CO), hydrogen cyanide (HCN), hydrogen fluoride (HF) and hydrogen chloride (HCl), whose concentrations depend on the particular material and test conditions. For example, modern aerospace wire insulation produces significant concentration of HF, which persists in the test chamber longer than anticipated. These compounds are the analytical targets identified for the development of new tunable diode laser based hand-held monitors, to replace the aging electrochemical sensor based devices currently in use on the International Space Station.

Mudgett, Paul D.↗

Materials Combustion Testing and Combustion Product Sensor Evaluations in FY12

NASA Centers continue to collaborate to characterize the chemical species and smoke particles generated by the combustion of current space-rated non-metallic materials including fluoropolymers. This paper describes the results of tests conducted February through September 2012 to identify optimal chemical markers both for augmenting particle-based fire detection methods and for monitoring the post-fire cleanup phase in human spacecraft. These studies follow up on testing conducted in August 2010 and reported at ICES 2011. The tests were conducted at the NASA White Sands Test Facility in a custom glove box designed for burning fractional gram quantities of materials under varying heating profiles. The 623 L chamber was heavily instrumented to quantify organics (gas chromatography/mass spectrometry), inorganics by water extraction followed by ion chromatography, and select species by various individual commercially-available sensors. Evaluating new technologies for measuring carbon monoxide, hydrogen cyanide, hydrogen fluoride, hydrogen chloride and other species of interest was a key objective of the test. Some of these sensors were located inside the glovebox near the fire source to avoid losses through the sampling lines; the rest were located just outside the glovebox. Instruments for smoke particle characterization included a Tapered Element Oscillating Microbalance Personal Dust Monitor (TEOM PDM) and a TSI Dust Trak DRX to measure particle mass concentration, a TSI PTrak for number concentration and a thermal precipitator for collection of particles for microscopic analysis. Materials studied included Nomex®, M22759 wire insulation, granulated circuit board, polyvinyl chloride (PVC), Polytetrafluoroethylene (PTFE), Kapton®, and mixtures of PTFE and Kapton®. Furnace temperatures ranged from 340o to 640o C, focusing on the smoldering regime. Of particular interest in these tests was confirming burn repeatability and production of acid gases with different fuel mixture compositions, as well as the dependence of aerosol concentrations on temperature.

Smoke↗

Submillimetric Spectroscopic Observations of Volatiles in Comet C-2004 Q2 (Machholz)

Submillimeter spectroscopic observations of comets provide an important tool for understanding their chemical composition and enable a taxonomic classification. Aims. We aim to determine the production rates of several parent- and product volatiles and the C-12/C-13 isotopic carbon ratio in the long-period comet C/2004 Q2 (Machholz), which is likely to originate from the Oort Cloud. Methods. The line emission from several molecules in the coma was measured with high signal-to-noise ratio in January 2005 at heliocentric distance of 1.2 AU by means of high-resolution spectroscopic observations using the Submillimeter Telescope (SMT) at the Arizona Radio Observatory (ARO). Results. We have obtained production rates of several volatiles (CH3OH, HCN, H(sup 13)CN, HNC, H2CO, CO, and CS) by comparing the observed and simulated line-integrated intensities. We calculated the synthetic profiles using a radiative transfer code that includes collisions between neutrals and electrons, and the effects of radiative pumping of the fundamental vibrational levels by solar infrared radiation. Furthermore, multiline observations of the CH3OH J = 7-6 series allow us to estimate the rotational temperature using the rotation diagram technique. We find that the CH3OH population distribution of the levels sampled by these lines can be described by a rotational temperature of 40 +/- 3 K. Derived mixing ratios relative to hydrogen cyanide are CO/CH3OH/H2CO/CS/HNC/HC-13N/HCN= 30.9/24.6/4.8/0.57/0.031/0.013/1 assuming a pointing offset of 8" due to the uncertain ephemeris at the time of the observations and the telescope pointing error. Conclusions. The measured relative molecular abundances in C/2004 Q2 (Machholz) are between low- to typical values of those obtained in Oort Cloud comets, suggesting that it has visited the inner solar system previously and undergone thermal processing. The HNC/HCN abundance ratio of approx 3.1% is comparable to that found in other comets, accounting for the dependence on the heliocentric distance, and could possibly be explained by ion-molecule chemical processes in the low-temperature atmosphere. From a tentative HC-13N detection, the measured value of 97 +/- 30 for the HC-12N/HC-13N isotopologue pair is consistent with a telluric value. The outgassing variability observed in the HCN production rates over a period of two hours is consistent with the rotation of the nucleus derived using different observational techniques.

chemical composition↗

Detection of Reduced Nitrogen Compounds at Rocknest Using the Sample Analysis At Mars (SAM) Instrument on the Mars Science Laboratory (MSL)

The Sample Analysis at Mars (SAM) instrument suite on the Mars Science Laboratory (MSL) Curiosity Rover detected nitrogen-bearing compounds during the pyrolysis of Rocknest material at Gale Crater. Hydrogen cyanide and acetonitrile were identified by the quadrupole mass spectrometer (QMS) both in direct evolved gas analysis (EGA). SAM carried out four separate analyses from Rocknest Scoop 5. A significant low temperature release was present in Rocknest runs 1-4, while a smaller high temperature release was also seen in Rocknest runs 1-3. Here we evaluate whether these compounds are indigenous to Mars or a pyrolysis product resulting from known terrestrial materials that are part of the SAM derivatization.

Sample Analysis at Mars↗

Materials Combustion Testing and Combustion Product Sensor Evaluations in FY12

NASA Centers continue to collaborate to characterize the chemical species and smoke particles generated by the combustion of current space-rated non-metallic materials including fluoropolymers. This paper describes the results of tests conducted February through September 2012 to identify optimal chemical markers both for augmenting particle-based fire detection methods and for monitoring the post-fire cleanup phase in human spacecraft. These studies follow up on testing conducted in August 2010 and reported at ICES 2011. The tests were conducted at the NASA White Sands Test Facility in a custom glove box designed for burning fractional gram quantities of materials under varying heating profiles. The 623 L chamber was heavily instrumented to quantify organics (gas chromatography/mass spectrometry), inorganics by water extraction followed by ion chromatography, and select species by various individual commercially-available sensors. Evaluating new technologies for measuring carbon monoxide, hydrogen cyanide, hydrogen fluoride, hydrogen chloride and other species of interest was a key objective of the test. Some of these sensors were located inside the glovebox near the fire source to avoid losses through the sampling lines; the rest were located just outside the glovebox. Instruments for smoke particle characterization included a Tapered Element Oscillating Microbalance Personal Dust Monitor (TEOM PDM) and a TSI Dust Trak DRX to measure particle mass concentration, a TSI PTrak for number concentration and a thermal precipitator for collection of particles for microscopic analysis. Materials studied included Nomex(R), M22759 wire insulation, granulated circuit board, polyvinyl chloride (PVC), Polytetrafluoroethylene (PTFE), Kapton(R), and mixtures of PTFE and Kapton(R). Furnace temperatures ranged from 340 to 640 C, focusing on the smoldering regime. Of particular interest in these tests was confirming burn repeatability and production of acid gases with different fuel mixture compositions, as well as the dependence of aerosol concentrations on temperature.

Combustion↗

Combustion Products Monitor: Trade Study Testing

Current combustion products monitoring on the International Space Station (ISS) uses a handheld device (Compound Specific Analyzer-Combustion Products, CSA-CP) containing electrochemical sensors used to measure the concentration of carbon monoxide (CO), hydrogen chloride (HCl), hydrogen cyanide (HCN), and oxygen (O2). The CO sensor in this device accounts for a well-known cross-sensitivity with hydrogen (H2), which is important, as ISS air can contain up to 100 ppm H2. Unfortunately, this current device is being discontinued, and due to space constraints, the new model cannot accommodate the size of the current CO sensor. Therefore, a trade study was conducted in order to determine which CO sensors on the market were available with compensation for H2, and which instruments used these sensors, while also measuring HCN, O2, and carbon dioxide (CO2). The addition of CO2 to the device is helpful, as current monitoring of this gas requires a second hand-held monitor. By providing a device that will monitor both combustion products and CO2, volume and up-mass can be reduced as these monitors are delivered to ISS.

Wallace, William T.↗

Alma Observations of HCN and its Isotopologues on Titan

We present sub-millimeter spectra of HCN isotopologues on Titan, derived from publicly available ALMA flux calibration observations of Titan taken in early 2014. We report the detection of a new HCN isotopologue on Titan, H13C15N, and confirm an earlier report of detection of DCN. We model high signal-to-noise observations of HCN, H13CN, HC15N, DCN, and H13C15N to derive abundances and infer the following isotopic ratios: 12C/13C = 89.8 +/- 2.8, 14N/15N = 72.3 +/- 2.2, D/H = (2.5 +/- 0.2) × 10−4, and HCN/H13C15N = 5800 +/- 270 (1sigma errors). The carbon and nitrogen ratios are consistent with and improve on the precision of previous results, confirming a factor of approximately 2.3 elevation in 14N/15N in HCN compared to N2 and a lack of fractionation in 12C/13C from the protosolar value. This is the first published measurement of D/H in a nitrile species on Titan, and we find evidence for a factor of approximately 2 deuterium enrichment in hydrogen cyanide compared to methane. The isotopic ratios we derive may be used as constraints for future models to better understand the fractionation processes occurring in Titan's atmosphere.

Molter, Edward M.↗

Prebiotic Chemistry and Atmospheric Warming of Early Earth by an Active Young Sun

Nitrogen is a critical ingredient of complex biological molecules. Molecular nitrogen, however, which was outgassed Into the Earth's early atmosphere, is relatively chemically inert and nitrogen fixation into more chemically reactive compounds requires high temperatures. Possible mechanisms of nitrogen fixation include lightning, atmospheric shock heating by meteorites, and solar ultraviolet radiation. Here we show that nitrogen fixation in the early terrestrial atmosphere can be explained by frequent and powerful coronal mass ejection events from the young Sun -- so-called superflares. Using magnetohydrodynamic simulations constrained by Kepler Space Telescope observations, we find that successive superflare ejections produce shocks that accelerate energetic particles, which would have compressed the early Earth's magnetosphere. The resulting extended polar cap openings provide pathways for energetic particles to penetrate into the atmosphere and, according to our atmospheric chemistry simulations, initiate reactions converting molecular nitrogen, carbon dioxide and methane to the potent greenhouse gas nitrous oxide as well as hydrogen cyanide, an essential compound for life. Furthermore, the destruction of N2, C02 and CH, suggests that these greenhouse gases cannot explain the stability of liquid water on the early Earth. Instead, we propose that the efficient formation of nitrous oxide could explain a warm early Earth.

Airapetian, V. S.↗

A41a-0017: Using TES Retrievals of HCN to Determine Fire Influence of Aura-TES Footprints

Hydrogen cyanide (HCN) has successfully been used as a tracer of biomassburning in the context of aircraft campaigns. We show HCN observations fromAura-TES for a major fire in Indonesia in 2006, and globally over differentseasons. We develop a fire-influence flag for TES observations and show howthis relates to enhancements of other TES products, such as PAN, carbonmonoxide, and ozone.

ozone↗

Quantifying the Evolution of Molecular Production Rates of Comet 21P/Giacobini–Zinner with iSHELL/NASA-IRTF

This paper presents results from our molecular characterization of comet 21P/Giacobini–Zinner during its 2018 apparition. We followed the comet during four observing runs, for a total of eight nights. The high-resolution spectra of 21P were acquired using iSHELL—the near-infrared high-resolution immersion echelle spectrograph on NASA/IRTF (Maunakea, Hawaii). We detected many cometary emission lines across four customized iSHELL settings in the (2.9–5.2) μm range. CO abundances relative to water displayed a relatively constant behavior during the observing campaign, suggesting a possible correlation between the outgassing of water and CO. While CO mixing ratios in 21P are consistent with the reference median value for Jupiter family comets (JFCs), ethane was depleted relative to the reference median value for JFCs, except for one observing run (August 8 and 9) in which ethane appeared overabundant. We consider several possible causes: an ethane outburst, decreasing outgassing of water, or a seasonal effect owing to nucleus rotation. In the pre-perihelion runs, methanol was overabundant compared with the reference median value for JFCs, however it decreased steadily to a depleted value during 21P’s post-perihelion phase, suggesting a possible seasonal effect. We report 3σ upper limits for acetylene, formaldehyde, ammonia, and methane. The ratios of our measured 3σ upper limits for acetylene and detections of hydrogen cyanide are consistent with the depletion of C2 relative to CN in 21P observed at optical wavelengths. This result confirms that 21P is depleted in the carbon-chain primary volatile responsible for C2.

Faggi, S.↗

Quantifying the Evolution of Molecular Production Rates of Comet 21P/Giacobini–Zinner with iSHELL/NASA-IRTF

This paper presents results from our molecular characterization of comet 21P/Giacobini-Zinner during its 2018 apparition. We followed the comet during four observing runs, for a total of 8 nights. The high-resolution spectra of 21P were acquired using iSHELL - the near-IR high resolution immersion echelle spectrograph on NASA/IRTF (Mauna Kea, Hawaii). We detected many cometary emission lines across four customized iSHELL settings in the (2.9 – 5.2) μm range. CO abundances relative to water displayed a relatively constant behavior during the observing campaign, suggesting a possible correlation between the outgassing of water and CO. While CO mixing ratios in 21P are consistent with the reference median value for Jupiter Family comets (JFCs), ethane was depleted relative to the reference median value for JFCs, excepting one observing run (8th and 9th Aug) in which ethane appeared overabundant. We consider several possible causes: an ethane outburst, decreasing outgassing of water, or a seasonal effect owing to nucleus rotation. In the pre-perihelion runs, methanol was overabundant compared with the reference median value for JFCs, however it decreased steadily to a depleted value during 21P’s post-perihelion phase, suggesting a possible seasonal effect. We report 3-s upper limits for acetylene, formaldehyde, ammonia and methane. The ratios of our measured 3-s upper limits for acetylene and detections of hydrogen cyanide are consistent with the depletion of C2 relative to CN in 21P observed at optical wavelengths. This result confirms that 21P is depleted in the carbon chain primary volatile responsible for C2 production.

Faggi S.↗

Unusually High CO Abundance of the First Active Interstellar Comet

Comets spend most of their lives at large distances from any star, during which time their interior compositions remain relatively unaltered. Cometary observations can therefore provide direct insight into the chemistry that occurred during their birth at the time of planet formation. To-date, there have been no confirmed observations of parent volatiles (gases released directly from the nucleus) of a comet from any planetary system other than our own. Here we present high-resolution, interferometric observations of 2I/Borisov, the first confirmed interstellar comet, obtained using the Atacama Large Millimeter/ submillimeter Array (ALMA) on 15th-16th December 2019. Our observations reveal emission from hydrogen cyanide (HCN), and carbon monoxide (CO), coincident with the expected position of 2I/Borisov’s nucleus, with production rates Q(HCN) = (7.0 ± 1.1) x 10(exp 23)/s and Q(CO) = (4.4 ± 0.7) x 10(exp 26)/s. While the HCN abundance relative to water (0.06–0.16%) appears similar to that of typical, previously observed comets in our Solar System, the abundance of CO (35–105%) is among the highest observed in any comet within 2 au of the Sun. This shows that 2I/Borisov must have formed in a relatively CO-rich environment — probably beyond the CO ice-line in the very cold, outer regions of a distant protoplanetary accretion disk, as part of a population of small, icy bodies analogous to our Solar System’s own proto-Kuiper Belt.

Cordiner, M. A.↗

Propionitrile in the Two Lowest Excited Vibrational States in the Laboratory and on Titan

The rotational spectrum of propionitrile (ethyl cyanide, C2H5CN) in the two lowest excited vibrational states, ν(sub 13) = 1 and ν(sub 21) = 1, was studied in detail. The compiled experimental data set consisted of published line lists, lines measured from published spectra up to 645 GHz, and new measurements at frequencies from 8 to 331 GHz. The two states are subject to considerable mutual interaction but application of a- and b-axis Coriolis coupling model to the measured A-symmetry internal rotation substate transitions was found to be successful. A total of over 1900 transitions were fitted for J values up to 76 and Ka up to 24, resulting in determined vibrational separation between the two states ΔE = 6:2070246(14) cm(exp -1), and Coriolis coefficients |ζ(sup a)(sub 13,21)| = 0.378, |ζ(sup b) (sub 13,21)| = 0.127, in good agreement with quantum chemistry calculations. The new line catalog was used to model ALMA spectra of Titan’s atmosphere from 2016, fitting many weak lines not previously modeled. By including the vibrationally excited lines of C2H5CN and a new partition function, we derive a disk-averaged volume mixing ratio estimate in 2016 of 7.8 ± 0.2 ppb assumed constant above 300 km.

Analysis of rotational spectrum↗