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NASA NTRS2012

Titan's Stratospheric Condensibles at High Northern Latitudes During Northern Winter

The Infrared Interferometer Spectrometer (IRIS) instrument on board Voyager 1 caught the first glimpse of an unidentified particulate feature in Titan's stratosphere that spectrally peaks at 221 per centimeter. Until recently, this feature that we have termed 'the haystack,' has been seen persistently at high northern latitudes with the Composite Infrared Spectrometer (CIRS) instrument onboard Cassini, The strength of the haystack emission feature diminishes rapidly with season, becoming drastically reduced at high northern latitudes, as Titan transitions from northern winter into spring, In contrast to IRIS whose shortest wavenumber was 200 per centimeter, CIRS extends down to 10 per centimeter, thus revealing an entirely unexplored spectral region in which nitrile ices have numerous broad lattice vibration features, Unlike the haystack, which is only found at high northern latitudes during northern winter/early northern spring, this geometrically thin nitrile cloud pervades Titan's lower stratosphere, spectrally peaking at 160 per centimeter, and is almost global in extent spanning latitudes 85 N to 600 S, The inference of nitrile ices are consistent with the highly restricted altitude ranges over which these features are observed, and appear to be dominated by a mixture of HCN and HC3N, The narrow range in altitude over which the nitrile ices extend is unlike the haystack, whose vertical distribution is significantly broader, spanning roughly 70 kilometers in altitude in Titan's lower stratosphere, The nitrile clouds that CIRS observes are located in a dynamically stable region of Titan's atmosphere, whereas CH4 clouds, which ordinarily form in the troposphere, form in a more dynamically unstable region, where convective cloud systems tend to occur. In the unusual situation where Titan's tropopause cools significantly from the HASI 70.5K temperature minimum, CH4 should condense in Titan's lower stratosphere, just like the aforementioned nitrile clouds, although in significantly larger abundances. We will present the spectral and vertical distribution of Titan's stratospheric particulates during northern winter on Titan. The drastically changing abundance of the haystack over a small latitude range will be highlighted, specifically comparing the IRIS and CIRS epochs, Finally, we will discuss the situation in which CH4 condenses in Titan's lower stratosphere, forming an unexpected quasi steady-state stratospheric Ice cloud.

Anderson, Carrie↗

NASA NTRS2012

Radio Observations of Organics in Comets

A major observational challenge in cometary science is to quantify the extent to which chemical compounds can be linked to either interstellar or nebular chemistry. Recently, there have been complimentary observations from multiple facilities to try to unravel the chemical complexity of comets and their origins. Incorporating results from various techniques can gain further insight into the abundances, production rates, distributions, and formation mechanisms of molecules in these objects [I]. Such studies have provided great detail towards molecules with a-typical chemistries, such as H2CO [2]. We report multiwavelength spectral observations of comets from two dynamical families including the JFC 103P/Hartley 2 and a long period comet C/2009 PI (Garradd) with the Arizona Radio Observatory's SMT and 12-m telescopes, as well as the NRAO Greenbank telescope, and the James Clerk Maxwell Telescope. Multiple parent volatiles (e.g. HCN, CH30H, CO) as well as daughter products (e.g, CS and 01-1) have been detected in these objects. We will present a comparison of molecular abundances in these comets to those observed in others, supporting a long-term effort of building a comet taxonomy based on composition. Previous work has revealed a range of abundances of parent species (from "organics-poor" to "organics-rich") with respect to water among comets [3,4,5], however the statistics are not well constrained.

Milam, Stefanie N.↗

NASA NTRS2011

A Newly Developed Fluorescence Model for C2H6 v5 and Application to Cometary Spectra Acquired with NIRSPEC at Keck II

Accurate rotational temperatures are essential for extracting production rates for parent volatiles in comets. Two strong bands of ethane (v7 at 2985.39/cm and v5 at 2895.67/cm) are seen in infrared cometary spectra, but the Q-branches of v7 are not resolved by current instruments and cannot provide an accurate rotational temperature with current models.We developed a fluorescence model for the C2H6 v5 band that can be used to derive a rotational temperature.We applied our C2H6 5 model to high-resolution infrared spectra of the comets C/2004 Q2 Machholz and C/2000 WM1 (LINEAR), acquired with the Near-infrared Echelle Spectrograph on the Keck II telescope. We demonstrate agreement among the rotational temperatures derived from C2H6 v5 and other species, and between mixing ratios derived from C2H6 v5 and C2H6 v7. As a symmetric hydrocarbon, C2H6 is observed only in the infrared, and it is now the fifth molecule (along with H2O, HCN, CO, and H2CO) for which we can derive a reliable rotational temperature from cometary infrared spectra.

Radeva, Yana L.↗

NASA NTRS2012

Seasonal Variations in Titan's Stratosphere Observed with Cassini/CIRS: Temperature, Trace Molecular Gas and Aerosol Mixing Ratio Profiles

Titan's northern spring equinox occurred in August 2009. General Circulation Models (e.g. Lebonnois et al., 2012) predict strong modifications of the global circulation in this period, with formation of two circulation cells instead of the pole-to-pole cell that occurred during northern winter. This winter single cell, which had its descending branch at the north pole, was at the origin of the enrichment of molecular abundances and high stratopause temperatures observed by Cassini/CIRS at high northern latitudes (e.g. Achterberg et al., 2011, Coustenis et al., 2010, Teanby et al., 2008, Vinatier et al., 2010). The predicted dynamical seasonal variations after the equinox have strong impact on the spatial distributions of trace gas, temperature and aerosol abundances. We will present here an analysis of CIRS limb-geometry datasets acquired in 2010 and 2011 that we used to monitor the seasonal evolution of the vertical profiles of temperature, molecular (C2H2, C2H6, HCN, ..) and aerosol abundances.

Vinatier, S.↗

NASA NTRS2011

Investigating the Chemical Pathways to PAH- and PANH-Based Aerosols in Titan's Atmospheric chemistry

A complex organic chemistry between Titan's two main constituents, N2 and CH4, leads to the production of more complex molecules and subsequently to solid organic aerosols. These aerosols are at the origin of the haze layers giving Titan its characteristic orange color. In situ measurements by the Ion Neutral Mass Spectrometer (INMS) and Cassini Plasma Spectrometer (CAPS) instruments onboard Cassini have revealed the presence of large amounts of neutral, positively and negatively charged heavy molecules in the ionosphere of Titan. In particular, benzene (C6H6) and toluene (C6H5CH3), which are critical precursors of polycyclic aromatic hydrocarbon (PAH) compounds, have been detected, suggesting that PAHs might play a role in the production of Titan s aerosols. Moreover, results from numerical models as well as laboratory simulations of Titan s atmospheric chemistry are also suggesting chemical pathways that link the simple precursor molecules resulting from the first steps of the N2-CH4 chemistry (C2H2, C2H4, HCN ...) to benzene, and to PAHs and nitrogen-containing PAHs (or PANHs) as precursors to the production of solid aerosols.

Sciamma-O'Brien, Ella Marion↗

NASA NTRS2012

Characterizing Abundances of Volatiles in Comets Through Multiwavelength Observations

Recently, there have been complimentary observations from multiple facilities to try to unravel the chemical complexity of comets. Incorporating results from various techniques, including: single-dish millimeter wavelength observations, interferometers, and/or IR spectroscopy, one can gain further insight into the abundances, production rates, distributions, and formation mechanisms of molecules in these objects [I]. Such studies have provided great detail towards molecules with a-typical chemistries, such as H2CO [2]. We report spectral observations of C/2007 N3 (Lulin), C/2009 R1 (McNaught), 103P/Hartley 2, and C/2009 P1 (Garradd) with the Arizona Radio Observatory's SMT and 12-m telescopes, as well as the NRAO Greenbank telescope and IRTF-CSHELL. Multiple parent volatiles (HCN, CH3OH, CO, CH4, C2H6, and H2O) as well as a number of daughter products (CS and OH) have been detected in these objects. We will present a comparison of molecular abundances in these comets to those observed in others, supporting a long-term effort of building a comet taxonomy based on composition. Previous work has revealed a range of abundances of parent species (from "organics-poor" to "organics-rich") with respect to water among comets [3,4,5], however the statistics are still poorly constrained and interpretations of the observed compositional diversity are uncertain. We gratefully acknowledge support from the NSF Astronomy and Astrophysics Program, the NASA Planetary Astronomy Program, NASA Planetary Atmospheres Program, and the NASA Astrobiology Program.

Milam, Stefanie N.↗

NASA NTRS2012

The Temperature and Distribution of Organic Molecules in the Inner Regions of T Tauri Disks

"High-resolution NIR spectroscopic observations of warm molecular gas emission from young circumstellar disks allow us to constrain the temperature and composition of material in the inner planet-forming region. By combining advanced data reduction algorithms with accurate modeling of the terrestrial atmospheric spectrum and a novel double-differencing data analysis technique, we have achieved very high-contrast measurements (S/N approx. 500-1000) of molecular emission at 3 microns. In disks around low-mass stars, we have achieved the first detections of emission from HCN and C2H2 at near-infrared wavelengths from several bright T Tauri stars using the CRIRES spectrograph on the Very Large Telescope and NIRSPEC spectrograph on the Keck Telescope. We spectrally resolve the line shape, showing that the emission has both a Keplerian and non-Keplerian component as observed previously for CO emission. We used a simplified single-temperature local thermal equilibrium (LTE) slab model with a Gaussian line profile to make line identifications and determine a best-fit temperature and initial abundance ratios, and we then compared these values with constraints derived from a detailed disk radiative transfer model assuming LTE excitation but utilizing a realistic temperature and density structure. Abundance ratios from both sets of models are consistent with each other and consistent with expected values from theoretical chemical models, and analysis of the line shapes suggests that the molecular emission originates from within a narrow region in the inner disk (R < 1 AU)."

Mandell, Avi↗

NASA NTRS2012

Isotopic Anomalies in Primitive Solar System Matter: Spin-State-Dependent Fractionation of Nitrogen and Deuterium in Interstellar Clouds

Organic material found in meteorites and interplanetary dust particles is enriched in D and N-15. This is consistent with the idea that the functional groups carrying these isotopic anomalies, nitriles and amines, were formed by ion-molecule chemistry in the protosolar nebula, Theoretical models of interstellar fractionation at low temperatures predict large enrichments in both D and N-15 and can account for the largest isotopic enrichments measured in carbonaceous meteorites. However, more recent measurements have shown that, in some primitive samples, a large N-15 enrichment does not correlate with one in D, and that some D-enriched primitive material displays little, if any, N-15 enrichment. By considering the spin-state dependence in ion-molecule reactions involving the ortho and para forms of H2, we show that ammonia and related molecules can exhibit such a wide range of fractionation for both N-15 and D in dense cloud cores. We also show that while the nitriles, HCN and HNC, contain the greatest N=15 enrichment, this is not expected to correlate with extreme D enrichment. These calculations therefore support the view that solar system N-15 and D isotopic anomalies have an interstellar heritage. We also compare our results to existing astronomical observations and briefly discuss future tests of this model.

Wirstrom, Eva S.↗

NASA NTRS2012

Seasonal Changes in Titan's Southern Stratosphere

In August 2009 Titan passed through northern spring equinox, and the southern hemisphere passed into fall. Since then, the moon's atmosphere has been closely watched for evidence of the expected seasonal reversal of stratospheric circulation, with increased northern insolation leading to upwelling, and consequent downwelling at southern high latitudes. If the southern winter mirrors the northern winter, this circulation will be traced by increases in short-lived gas species advected downwards from the upper atmosphere to the stratosphere. The Cassini spacecraft in orbit around Saturn carries on board the Composite Infrared Spectrometer (CIRS), which has been actively monitoring the trace gas populations through measurement of the intensity of their infrared emission bands (7-1000 micron). In this presentation we will show fresh evidence from recent CIRS measurements in June 2012, that the shortest-lived and least abundant minor species (C3H4, C4H2, C6H6, HC3N) are indeed increasing dramatically southwards of 50S in the lower stratosphere. Intriguingly, the more stable gases (C2H2, HCN, CO2) have yet to show this trend, and continue to exhibit their 'summer' abundances, decreasing towards the south pole. Possible chemical and dynamical explanations of these results will be discussed , along with the potential of future CIRS measurements to monitor and elucidate these seasonal changes.

Nixon, C. A.↗

NASA NTRS2012

Isotopic Anomalies in Primitive Solar System Matter: Spin-State Dependent Fractionation of Nitrogen and Deuterium in Interstellar Clouds

Organic material found in meteorites and interplanetary dust particles is enriched in D and N-15, This is consistent with the idea that the functional groups carrying these isotopic anomalies, nitriles and amines, were formed by ion-molecule chemistry in the protosolar core. Theoretical models of interstellar fractionation at low temperatures predict large enrichments in both D and N-15 and can account for the largest isotop c enrichments measured in carbonaceous meteorites, However, more recent measurements have shown that, in some primitive samples, a large N-15 enrichment does not correlate with one in D, and that some D-enriched primitive material displays little, if any, N-15 enrichment. By considering the spin-state dependence in ion-molecule reactions involving the ortho and para forms of H2, we show that ammonia and related molecules can exhibit such a wide range of fractionation for both N-15 and D in dense cloud cores, We also show that while the nitriles, HCN and HNC, contain the greatest N-15 enrichment, this is not expected to correlate with extreme D emichment. These calculations therefore support the view that Solar System N-15 and D isotopic anomalies have an interstellar heritage, We also compare our results to existing astronomical observations and briefly discuss future tests of this model.

Wirstrom, Eva S.↗

NASA NTRS2012

Development of Primary Volatile Production in COMET C/20O9 Pl (GARRADD) During its 2011-2O12 Apparition

We quantified primary volatiles in comet C/2009 Pl (Garradd) through pre- and post-perihelion observations acquired during its apparition in 2011-12 [1,2,3]. Detected volatiles include H2O, CO, CH4, C2H2, C2H6, HCN, NH3, H2CO, and CH3OH. We present production rates and chemical abundance ratios (relative to water) for all species, and I-D spatial profiles for multiple primary volatiles. We discuss these findings in the context of an emerging taxonomy based on primary volatiles in comets [4]. We used three spectrometer/telescope combinations. On UT 20ll August 7 (Rh 2.4 AU) and September 17-21 (Rh 2.0 AU), we used CRIRES at ESO's Very Large Telescope (VLT) [1]. On September 8 and 9 (Rh 2.1 AU), we used NIRSPEC at Keck-2 and CSHELL at IRTF [2]. Using NIRSPEC on October 13 and 2012 January 08 (Rh 1.83 and 1.57 AU, respectively), we detected nine primary volatiles pre-perihelion, and six post-perihelion [3]. CO was enriched in Garradd while C2H2 was strongly depleted. C2H6 and CH3OH displayed abundances close to those measured for the majority of Oort cloud comets observed to date. The high fractional abundance of CO identifies comet C12009 P1 as a CO-rich comet. Spatial profiles revealed notable differences among individual primary species. Given the relatively large heliocentric distance of C/2009 Pl, we explored the effect of water not being fully sublimated within our field of view and we identi$, the "missing" water fraction needed to reconcile the retrieved abundance ratios with the mean values found for "organics-normal" comets.

Mumma, M. J.↗

NASA NTRS2008

Application of Smart Solid State Sensor Technology in Aerospace Applications

Aerospace applications require a range of chemical sensing technologies to monitor conditions in both space vehicles and aircraft operations. One example is the monitoring of oxygen. For example, monitoring of ambient oxygen (O2) levels is critical to ensuring the health, safety, and performance of humans living and working in space. Oxygen sensors can also be incorporated in detection systems to determine if hazardous leaks are occurring in space propulsion systems and storage facilities. In aeronautic applications, O2 detection has been investigated for fuel tank monitoring. However, as noted elsewhere, O2 is not the only species of interest in aerospace applications with a wide range of species of interest being relevant to understand an environmental or vehicle condition. These include combustion products such as CO, HF, HCN, and HCl, which are related to both the presence of a fire and monitoring of post-fire clean-up operations. This paper discusses the development of an electrochemical cell platform based on a polymer electrolyte, NAFION, and a three-electrode configuration. The approach has been to mature this basic platform for a range of applications and to test this system, combined with "Lick and Stick" electronics, for its viability to monitor an environment related to astronaut crew health and safety applications with an understanding that a broad range of applications can be addressed with a core technology.

Hunter, Gary W.↗

NASA NTRS2013

Characterizing Uranus with an Ice giant Planetary Origins Probe (Ice-POP)

We now know from studies of planetary transits and microlensing that Neptune-mass planets are ubitquitous and may be the most common class of planets in the Galaxy. As such it is crucial that we understand the formation and evolution of the ice giant planets in our own solar system so that we can better understand planet formation throughout the galaxy. An entry probe mission to Uranus would help accomplish this goal. In fact the Planetary Decadal Survey recommended a Uranus orbiter with entry probe but did not explore in detail the specifications for the entry probe. NASA Ames is currently studying thermal protection system requirements for such a mission and this has led to questions regarding the minimum interesting science payload of such an entry probe. The single most important in-situ measurement for an ice giant entry probe is a measurement of atmospheric composition. For Uranus this would specifically include the methane and noble gas abundances. An in situ measurement of the methane abundance, from below the methane cloud, would constrain the atmospheric carbon abundance, which is believed to be roughly 30 to 50 times solar. There are hints from the transiting planets that extrasolar ice giants show comparable or even greater enhancements of heavy elements compared to their primary stars. However the origin of this carbon enhancement is controversial. Is Uranus a "failed core" of a larger gas giant or was the atmosphere enhanced by accretion of icy planetesimals' Constraining atmospheric abundances of C and perhaps S or even N from below 5 bars would provide badly needed data to address such issues. A measurement of the N abundance would provide clues on the origin of the planetesimals that formed Uranus. Low N-abundance indicates planetesimals from 'warmer' regions where N was mainly in form of NH3, whereas a strong enrichment could indicate planetesimals / cometary material from the colder outer regions of the nebula. Furthermore CO and HCN have been detected in Neptune but not in Uranus. A measurement of the abundance of either would constrain the source mechanisms for these molecules (exogenic or internal). A major surprise from the Galileo Entry Probe was that the heavier noble gases Ar, Kr, and Xe are enhanced in Jupiter's atmosphere at a level comparable to what was seen for the chemically active volatiles N, C, and S. It had been generally expected that Ar, Kr, and Xe would be present in solar abundances, as all were expected to accrete with hydrogen during the gravitational capture of nebular gases. Enhanced abundances of Ar, Kr, and Xe is equivalent to saying that these noble gases have been separated from hydrogen. There are several mechanisms that could accomplish this but these hypotheses require further testing. Measurement of noble gas abundances in an ice giant would constrain the planetary formation and nebular mechanisms responsible for this enhancement. Standard three-layer models of Uranus find that the outer, predominantly H/He layer of Uranus does not reach pressures high enough (approximately 1 Mbar) for H2 to transition to liquid metallic hydrogen. However, valid models can also be constructed with a smaller intermediate water-rich layer, with hydrogen then reaching the metallic hydrogen phase. If this occurs, He should phase separate from the hydrogen and ``rain out," taking along a substantial abundance of Ne, as suggested for Jupiter (and likely also for Saturn). Hence He and Ne depletions could be probes of the planet's structure in the much deeper interior. A determination of Uranus' atmospheric abundances, particularly of the noble gasses, is thus critical to understanding the formation of Uranus, and giant planets in general. These measurements can only be performed with an entry probe. The second key measurement would be a temperature-pressure sounding to provide ground truth for remote measurements of atmospheric temperature and composition and to constrain the internal heat flow. This would also establish that the methane abundance measurements have indeed been made below any possible methane cloud. Finally an ultra stable oscillator would measure wind speeds and constrain atmospheric dynamics. In our presentation we will discuss the importance of all of these measurements and argue that an entry probe is a crucial component of any ice giant mission.

Marley, Mark S.↗

NASA NTRS2013

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.↗

NASA NTRS2013

Detection and Quantification of Nitrogen Compounds in Martian Solid Samples by the Sample Analysis at Mars (SAM) Instrument Suite

The Sample Analysis at Mars (SAM) instrument suite on the Mars Science Laboratory (MSL) Curiosity Rover detected both reduced and oxidized nitrogen-bearing compounds during the pyrolysis of surface materials from three sites at Gale Crater. Preliminary detections of nitrogen species include NO, HCN, ClCN, CH3CN, and TFMA (trifluoro-Nmethyl-acetamide). On Earth, nitrogen is a crucial bio-element, and nitrogen availability controls productivity in many environments. Nitrogen has also recently been detected in the form of CN in inclusions in the Martian meteorite Tissint, and isotopically heavy nitrogen (delta N-15 approx +100per mille) has been measured during stepped combustion experiments in several SNC meteorites. The detection of nitrogen-bearing compounds in Martian regolith would have important implications for the habitability of ancient Mars. However, confirmation of indigenous Martian nitrogen bearing compounds will require ruling out their formation from the terrestrial derivatization reagents (e.g. N-methyl-N-tert-butyldimethylsilyl-trifluoroacetamide, MTBSTFA and dimethylformamide, DMF) carried for SAM's wet chemistry experiment that contribute to the SAM background. The nitrogen species we detect in the SAM solid sample analyses can also be produced during laboratory pyrolysis experiments where these reagents are heated in the presence of perchlorate, a compound that has also been identified by SAM in Mars solid samples. However, this does not preclude a Martian origin for some of these compounds, which are present in nanomolar concentrations in SAM evolved gas analyses. Analysis of SAM data and laboratory breadboard tests are underway to determine whether nitrogen species are present at higher concentrations than can be accounted for by maximum estimates of nitrogen contribution from MTBSTFA and DMF. In addition, methods are currently being developed to use GC Column 6, (functionally similar to a commercial Q-Bond column), to separate and identify unretained compounds such as NO, N2O, and NO2, which are difficult to detect by EGA-MS due to mass interferences at 30, 44 and 46, respectively. Here we present evolved gas analysis-mass spectrometry (EGA-MS) and gas chromatography mass spectrometry (GC-MS) data on the identification and quantification of these nitrogen-bearing compounds, and suggestions for their origins

Stern, Jennifer C.↗

NASA NTRS2014

Detection and Quantification of Nitrogen Compounds in the First Drilled Martian Solid Samples by the Sample Analysis at Mars (SAM) Instrument Suite on the Mars Science Laboratory (MSL)

The Sampl;e Analysis at Mars (sam) instrument suite on the Mars Science Laboratory (MSL) Curiosity Rover detected both reduced and oxidized nitrogen bearing compounds during the pyrolysis of surface materials from the three sites at Gale Crater. Preliminary detections of nitrogen species include No, HCN, ClCN, and TFMA ((trifluoro-N-methyl-acetamide), Confirmation of indigenous Martian nitrogen-bearing compounds requires quantifying N contribution from the terrestrial derivatization reagents carried for SAM's wet chemistry experiment that contribute to the SAM background. Nitrogen species detected in the SAM solid sample analyses can also be produced during laboratory pyrolysis experiments where these reagents are heated in the presence of perchlorate a compound that has also been identified by SAM in Mars solid samples.

Stern, Jennifer C.↗

NASA NTRS2014

Vibrational Frequencies and Spectroscopic Constants for 1(sup 3)A' HNC and 1(sup 3)A' HOC+ from High-Accuracy Quartic Force Fields

The spectroscopic constants and vibrational frequencies for the 1(sup 3)A' states of HNC, DNC, HOC+, and DOC+ are computed and discussed in this work. The reliable CcCR quartic force field based on high-level coupled cluster ab initio quantum chemical computations is exclusively utilized to provide the anharmonic potential. Then, second order vibrational perturbation theory and vibrational configuration interaction methods are employed to treat the nuclear Schroedinger equation. Second-order perturbation theory is also employed to provide spectroscopic data for all molecules examined. The relationship between these molecules and the corresponding 1(sup 3)A' HCN and HCO+ isomers is further developed here. These data are applicable to laboratory studies involving formation of HNC and HOC+ as well as astronomical observations of chemically active astrophysical environments.

Astrochemistry↗

NASA NTRS2014

Detection and Quantification of Nitrogen Compounds in the First Drilled Martian Solid Samples by the Sample Analysis at Mars (SAM) Instrument Suite on the Mars Science Laboratory (MSL)

Curiosity rover↗