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NASA NTRS2001

Motions and Initial Conditions in Star-Forming Dense Cores

Under this grant in the past year we have pursued spectral-line observations of star-forming regions over size scales from 0.01 pc to 0.5 pc. Our main goal has been to measure the systematic and turbulent motions of condensing and collapsing gas. In this area, our results include (1) in 67 starless dense cores, some 19 show clear evidence of spatially extended inward motions, with typical line-of-sight inward speed 0.05-0.09 km s(sup -1) and with typical plane-of-the-sky extent 0.1-0.3 pc, (2) In some 40 nearby regions with embedded groups and clusters, we see extended infall asymmetry in lines of CS and HCO(+) clearly in 4 regions and less clearly in 4 others, (3) Using finer resolution (15 arcsec or 0.01-0.02 pc) and lines tracing higher density, we see spatial concentration of infall asymmetry near the protostars in NGC 1333 IRS 4A and B, L483, and L1251B, and with still finer resolution (2 arcsec or 0.003 pc or 600 AU) we detect inverse P Cyg profiles, indicating absorption of continuum emission from the protostellar envelope by infalling gas in NGC 1333 IRS 4A and 4B. Further, at high resolution we identify regions of stellar mass and low turbulence ("kernels") which are good candidates to become the next generation of stars in embedded clusters. In addition we have completed a survey for the OH Zeeman effect in absorption against nearby H II regions, indicating that the large-scale magnetic field may be nearly critical if it typically threads a flattened structure. We have also developed a model of spatially extended infall motions based on dissipation of turbulence in a magnetized, selfgravitating layer. In the following we describe some of these results in more detail.

Myers, Philip C.↗
NASA NTRS1995

Polarimetry of the Interstellar Medium

The talk will review what is known about the composition of ices and organics in the dense and diffuse interstellar media (ISM). Mixed molecular ices make up a significant fraction of the solid materials in dense molecular clouds and it is now known that thermal and radiation processing of these ices results in the production of more complex organic species, some of which may survive transport into forming stellar systems and the diffuse ISM. Molecular species identified in interstellar ices include H2O, CH3OH, CO, CH4, CO2, and somewhat surprisingly, H2. Theoretical and laboratory studies of the processing of interstellar analog ices containing these species indicate that species like HCO, H2CO, CH3, and NH3 are readily made and should also be present. The irradiation of mixed molecular ices containing these species, when followed by warming, leads to the production of a large variety of more complex species, including ethanol (CH3CH2OH), formamide (HC(=O)NH2), acetamide (CH3C(=O)NH2), nitriles or isonitriles (R-CN or R-NC hexamethylenetetramine (HMT; C6H12N4), a number of polymeric species related to polyoxymethylene [POM,(-CH2O-)n], and ketones {R-C(=O)-R'}. Spectral studies of dust in the diffuse ISM indicate the presence of fairly complex organics, some of which may be related to the organics produced in dense molecular clouds. Spectral comparisons indicate that the diffuse ISM organics may be quite similar to meteoritic kerogens, i.e. they may consist largely of aromatic moieties interlinked by short aliphatic bridges. Interestingly, recent evidence indicates that the galactic distribution of this material closely matches that of silicates, but does not correlate directly with visual extinction. This implies that a large fraction of the visual extinction is caused by a material other than these organics and silicates and that this other material has a significantly different distribution within the galaxy.

Sandford, Scott↗
NASA NTRS1996

Interstellar/Precometary Organic Material and the Photochemical Evolution of Complex Organics

During the past two decades ground-, air-, and space-based infrared spectroscopic observations, combined with realistic laboratory simulations, have revolutionized our understanding of interstellar ice and dust, the raw materials from which planets, comets and stars form. Most interstellar material is concentrated in Large molecular clouds where simple molecules are formed by dust grain and gas phase reactions. Gaseous species striking the cold (10 K) dust will stick, forming an icy grain mantle. This accretion, coupled with energetic particle bombardment and UV photolysis, will produce a complex chemical mixture containing volatile, non-volatile, and isotopically fractionated species. Ices in molecular clouds contain the very simple molecules H2O, CH3OH, CO, CO2, H2, and perhaps some NH3 and H2CO, as well as more complex species including nitriles and ketones or esters. The evidence for these compounds as well as carbon rich materials such as polycyclic aromatic hydrocarbons (PAHs), microdiamonds, and amorphous carbon will be reviewed and the possible connections with comets and meteorites will be presented in the first part of the talk. The second part of the presentation will focus on interstellar/precometary ice photochemical evolution. The chemical composition and photochemical evolution of realistic interstellar/pre-cometary ice analogs containing methanol will be discussed. ultraviolet photolysis of these ices produces H2, H2CO, CO2, CO, CH4, HCO, and more complex molecules. Infrared spectroscopy, H-1 and C-13 nuclear magnetic resonance (NMR) spectroscopy, and gas chromatography-mass spectrometry demonstrate that when ices representative of interstellar grains and comets are exposed to UV radiation at low temperature a series of moderately complex organic molecules are formed in the ice including: CH3CH2OH (ethanol), HC(=O)NH2 (formamide), CH3C(=O)NH2 (acetamide), and R-C(integral)N (nitriles). Several of these are already known to be in the interstellar medium, and their presence indicates the importance of grain processing. After warming to room temperature what remains is an organic residue composed primarily of Hexamethylenetetramine (HMT, C6H12N4), with lesser amounts of polyoxymethylene related species (POMs), amides, and ketones. This is in sharp contrast to the organic residues produced by irradiating ices which do not contain methanol (unrealistic interstellar ice analogs) or thermally promoted polymerization-type reactions in unirradiated realistic ice mixtures. Here HMT is only a minor product in a residue dominated by a mixture of polyoxymethylene related species. The implications, for infrared astronomy and astrochemistry, of high concentrations of HMT in interstellar and cometary ices may be profound. The ultraviolet photolysis of HMT frozen in H20 ice produces the "XCN" band observed in the spectra of protostellar objects and laboratory ices, as well as carbon oxides and other nitriles. Thus, HMT may be a precursor of XCN in protostellar objects and a source of CN and CO in the tail of comets. Also, HMT is known to hydrolyze under acidic conditions to yield ammonia and formaldehyde as well as amino acids. Thus, HMT may have been a source of organic material delivered to the early earth by comets.

Allamandola, Lou J.↗
NASA NTRS1998

Evolution of Interstellar Grains

During the past two decades observations combined with laboratory simulations, have revolutionized our understanding of interstellar ice and dust, the raw materials from which planets, comets and stars form. Most interstellar material is concentrated in large molecular clouds where simple molecules are formed by dust-grain and gas-phase reactions. Gaseous species striking the cold (10K) dust stick, forming an icy grain mantle. This accretion, coupled with UV photolysis, produces a complex chemical mixture containing volatile, non-volatile, and isotopically fractionated species. Ices in molecular clouds contain the very simple molecules H2O, CH3OH, CO, CO2, H2, and perhaps some NH3 and H2CO, as well as more complex species. The evidence for these compounds, as well as carbon-rich materials, will be reviewed and the possible connections with comets and meteorites will be presented in the first part of the talk . The second part of the presentation will focus on interstellar/precometary ice photochemical evolution and the species likely to be found in comets. The chemical composition and photochemical evolution of realistic interstellar/pre-cometary ice analogs will be discussed. Ultraviolet photolysis of these ices produces H2, H2CO, CO2, CO, CH4, HCO, and more complex molecules. When ices representative of interstellar grains and comets are exposed to UV radiation at low temperature a series of moderately complex organic molecules are formed in the ice including: CH3CH2OH (ethanol), HC(=O)NH2 (formamide), CH3C(=O)NH2 (acetamide), and R-C=N (nitriles). Several of these are already known to be in the interstellar medium, and their presence indicates the importance of grain processing. After warming to room temperature an organic residue remains. This is composed primarily of hexamethylenetetramine (HMT, C6H12N4), with lesser amounts of polyoxymethylene-related species (POMs), amides, and ketones. This is in sharp contrast to the organic residues produced by irradiating unrealistic interstellar ice analogs or thermally promoted polymerization-type reactions in unirradiated realistic ice mixtures.

Allamandola, Lou J.↗
NASA NTRS2003

Tracing the Magnetic Field in Orion A

We use extensive 350 micron polarimetry and continuum maps obtained with Hertz and SHARC II along with HCN and HCO(sup +) spectroscopic data to trace the orientation of the magnetic field in the Orion A star-forming region. Using the polarimetry data, we find that the direction of the projection of the magnetic field in the plane of the sky relative to the orientation of the integral-shaped filament varies considerably as one moves from north to south. While in IRAS 05327-0457 and OMC-3 MMS 1-6 the projection of the field is primarily perpendicular to the filament it becomes better aligned with it at OMC-3 MMS 8-9 and well aligned with it at OMC-2 FIR 6. The OMC-2 FIR 4 cloud, located between the last two, is a peculiar object where we find almost no polarization. There is a relatively sharp boundary within its core where two adjacent regions exhibiting differing polarization angles merge. The projected angle of the field is more complicated in OMC-1 where it exhibits smooth variations in its orientation across the face of this massive complex. We also note that while the relative orientation of the projected angle of the magnetic field to the filament varies significantly in the OMC-3 and OMC-2 regions, its orientation relative to a fixed position on the sky shows much more stability. This suggests that, perhaps, the orientation of the field is relatively unaffected by the mass condensations present in these parts of the molecular cloud. By combining the polarimetry and spectroscopic data we were able to measure a set of average d u e s for the inclination angle of the magnetic field relative to the line of sight. We find that the field is oriented quite close to the plane of the sky in most places. More precisely, the inclination of the magnetic field is approx. = 73 deg around OMC-3 MMS 6, approx. = 74 deg at OMC-3 MMS 8-9, approx. = 80 deg at OMC-2 FIR 4, approx. = 65 deg in the northeastern part of OMC-1, and approx. = 49 deg in the Bas. The small difference in the inclination of the field between OMC-3 and OMC-2 seems to strengthen the idea that the orientation of the magnetic field is relatively unaffected by the agglomeration of matter located in these regions. We also present polarimetry data for the OMC-4 region located some 13 min. south of OMC-1.

Dowell, C. Darren↗
NASA NTRS2004

Vibrational Spectroscopy of Ions and Radicals Present in the Interstellar Medium and in Planetary Atmospheres: A Theoretical Study

Anharmonic vibrational frequencies and intensities are calculated for OH(H2O)n and H(H2O)n radicals (that form on icy particles of the interstellar medium), HCO radical (the main intermediate in the synthesis of organic molecules in space), NH2(-) and C2H(-) anions, H5(+) cation, and other systems relevant to interstellar chemistry. In addition to pure ions and radicals, their complexes with water are studied to assess the effects of water environment on infrared spectra. The calculations are performed using the correlation-corrected vibrational self-consistent field (CC-VSCF) method with ab initio potential surfaces at the MP2 and CCSD(T) levels. Fundamental, overtone, and combination excitations are computed. The results are in good agreement with available experimental data and provide reliable predictions for vibrational excitations not yet measured in laboratory experiments. The data should be useful for interpretation of astronomically observed spectra and identification of ions and radicals present in the interstellar medium and in planetary atmospheres.

Chaban, Galina M.↗
NASA NTRS1996

Why HOC+ is detectable in interstellar clouds: the rate of the reaction between HOC+ and H2

The recent confirmation by Ziurys and Apponi of the detection of HOC+ toward Sgr B2 (OH), and their identification of the ion in Orion-KL and several other sources show that HOC+ is far more abundant than predicted by previous ion-molecule models. In these models, the reaction HOC(+) + H2 --> HCO(+) + H2 is assumed to rapidly destroy HOC+, based on the results of a prior calculation. We have recalculated the rate of this reaction as a function of temperature using a new ab initio potential surface and a phase space approach to the dynamics which includes tunneling. The newly calculated rate is small (< or = 1 x 10(-10) cm3 s-1) at temperatures under 100 K.

Non-NASA Center↗
NASA NTRS1997

A survey of the chemical properties of the M17 and Cepheus A cloud cores

We present the results of a systematic survey of the chemical properties of two giant molecular cloud (GMC) cores in M17 and Cepheus A. In all, we have mapped the emission from 32 molecular transitions of 13 molecules and seven isotopic variants over a 4' x 5' region in each core. Each map includes known sites of massive star formation, as well as the more extended quiescent material. In M17 most molecules have emission peaks away from the H II region/molecular cloud interface, while two species, HC3N and CH3C2H, deviate from this structure with sharp maxima closer to this interface. In Cepheus A the core is influenced by a compact high-velocity molecular outflow and a more extended low-velocity flow. The molecular emission distributions in this source are generally quite similar, with most molecules peaking near the center of the core to the east of the compact H II region HW 2. A few molecules, SO, CH3OH, H13CN, and C18O, have more extended emission. Only two molecules, CO and HCO+, appear to trace the high- and low-velocity outflows; all other species are tracing the quiescent core. We have used the results of previous studies of the density and temperature of the dense gas in the same cloud cores to derive accurate abundances relative to CO for several positions in each core. The principal result is that the chemical composition of all the cores we have surveyed (which include OMC-1 as well as M17 and Cepheus A) show remarkable similarity, both within a given core and among the cores. This suggests that the chemical processes are similar in quiescent GMC core material. In M17 the lack of variation of molecular abundances is remarkable because the radiation field and the gas temperature are known to vary appreciably throughout the surveyed region, suggesting that the bulk of the emission arises from gas that is well shielded from radiation.

Non-NASA Center↗
NASA NTRS1997

Chemical and physical gradients along the OMC-1 ridge

We present a survey of the distribution of 20 chemical and isotopic molecular species along the central ridge of the Orion molecular cloud from 6' north to 6' south of BN-KL observed with the QUARRY focal plane array on the FCRAO 14 m telescope, which provides an angular resolution of approximately 50" in the 3 mm wavelength region. We use standard tools of multivariate analysis for a systematic investigation of the similarities and differences among the maps of integrated intensities of the 32 lines observed. The maps fall in three broad classes: first, those strongly peaked toward BN-KL; second, those having rather flat distributions along the ridge; and third, those with a clear north-south gradient or contrast. We identify six positions or regions where we calculate relative abundances. Line velocities and line widths indicate that the optically thin lines generally trace the same volume of dense gas, except in the molecular bar, where C18O, C34S, H13CO+, CN, C2H, SO, and C3H2 have velocities characteristic of the bar itself, whereas the emission from other detected species is dominated by the background cloud. The strongest abundance variations in our data are the well-known enhancements seen in HCN, CH3OH, HC3N, and SO toward BN-KL and, less strongly, toward the Orion-South outflow 1'.3S. The principal result of this study is that along the extended quiescent ridge the chemical abundances, within factors of 3-4, exhibit an impressive degree of uniformity. The northern part of the ridge has a chemistry closest to that found in quiescent dense clouds. While temperature and density are similar around the northern radical-ion peak near 3'.5N and in the southern core near 4'.2S, some abundances, in particular, those of the ions HCO+ and N2H+, are significantly lower toward 4'.2S. The areas near 4.'2S and the molecular bar itself around (1'.7E, 2'.4S) stand out with peculiar and similar properties probably caused by stronger UV fields penetrating deeper into the clumpy molecular gas. This leads to higher electron abundances and thereby reduced abundances of the ions, as well as a lack of complex molecules.

NASA Discipline Exobiology↗
NASA NTRS1997

The 2140 cm-1 (4.673 microns) solid CO band: the case for interstellar O2 and N2 and the photochemistry of nonpolar interstellar ice analogs

The infrared spectra of CO frozen in nonpolar ices containing N2, CO2, O2, and H2O and the UV photochemistry of these interstellar/precometary ice analogs are reported. The spectra are used to test the hypothesis that the narrow 2140 cm-1 (4.673 microns) interstellar absorption feature attributed to solid CO might be produced by CO frozen in ices containing nonpolar species such as N2 and O2. It is shown that mixed molecular ices containing CO, N2, O2, and CO2 provide a good match to the interstellar band at all temperatures between 12 and 30 K both before and after photolysis. The optical constants (real and imaginary parts of the index of refraction) in the region of the solid CO feature are reported for several of these ices. The N2 and O2 absorptions at 2328 cm-1 (4.296 microns) and 1549 cm-1 (6.456 microns), respectively, are also shown. The best matches between the narrow interstellar band and the feature in the laboratory spectra of nonpolar ices are for samples which contain comparable amounts of N2, O2, CO2, and CO. Co-adding the CO band from an N2:O2:CO2:CO = 1:5:1/2:1 ice with that of an H2O:CO = 20:1 ice provides an excellent fit across the entire interstellar CO feature. The four-component, nonpolar ice accounts for the narrow 2140 cm-1 portion of the feature which is associated with quiescent regions of dense molecular clouds. Using this mixture, and applying the most recent cosmic abundance values, we derive that between 15% and 70% of the available interstellar N is in the form of frozen N2 along several lines of sight toward background stars. This is reduced to a range of 1%-30% for embedded objects with lines of sight more dominated by warmer grains. The cosmic abundance of O tied up in frozen O2 lies in the 10%-45% range toward background sources, and it is between 1% and 20% toward embedded objects. The amount of oxygen tied up in CO and CO2 frozen in nonpolar ices can be as much as 2%-10% toward background sources and on the order of 0.2%-5% for embedded objects. Similarly 3%-13% of the carbon is tied up in CO and CO2 frozen in nonpolar ices toward field stars, and 0.2%-6% toward embedded objects. These numbers imply that most of the N is in N2, and a significant fraction of the available O is in O2 in the most quiescent regions of dense clouds. Ultraviolet photolysis of these ices produces a variety of photoproducts including CO2, N2O, O3, CO3, HCO, H2CO, and possibly NO and NO2. XCN is not produced in these experiments, placing important constraints on the origin of the enigmatic interstellar XCN feature. N2O and CO3 have not been previously considered as interstellar ice components.

NASA Discipline Exobiology↗
NASA NTRS1998

Chemistry in cometary comae

Significant gas-phase chemistry occurs in the comae of bright comets, as is demonstrated here for the case of Comet Hale-Bopp. The abundance ratio of the two isomers, hydrogen cyanide and hydrogen isocyanide, is shown to vary with heliocentric distance in a way that is consistent with production of HNC by ion-molecule chemistry initiated by the photoionization of water. Likewise, the first maps of emission from HCO+ show an abundance and an extended distribution that are consistent with the same chemical model.

Non-NASA Center↗
NASA NTRS2005

Precise Laboratory Measurement of Line Frequencies Useful to Studies of Star and Planet Formation

In March 2002, we began a program in laboratory spectroscopy to provide accurate molecular line frequencies essential to studies of the motions and abundance in star-forming dense cores and planet-forming circumstellar disks. Summarized here is the progress that has been made in Year 3 of this grant. Work included measurement of 10 successive rotational lines in the ground vibrational state of SiO between 86 and 500 GHz, and two lines near 800 GHz to an accuracy of a few kHz; conducting pilot experiments on molecular ions in collision-free supersonic beams, including HCO+, N2H+, and H2D+; measurement of 22 lines of CN between 113 and 340 GHz; and setting up an experiment that would allow us to refine earlier measurements of the neutral species such as C3H2, CCS, H2CS, and SO by observing the very narrow sub-Doppler (Lamb dip) features in the millimeter-wave spectra of these species.

Myers, Philip C.↗
NASA NTRS2007

Characteristics of a Linearly Tapered Slot Antenna (LTSA) Conformed Longitudinally Around a Cylinder

The family of tapered slot antennas (TSA s) is suitable for numerous applications. Their ease of fabrication, wide bandwidth, and high gain make them desirable for military and commercial systems. Fabrication on thin, flexible substrates allows the TSA to be conformed over a given body, such as an aircraft wing or a piece of clothing for wearable networks. Previously, a Double Exponentially Tapered Slot Antenna (DETSA) was conformed around an exponential curvature, which showed that the main beam skewed towards the direction of curvature. This paper presents a Linearly Tapered Slot Antenna (LTSA) conformed longitudinally around a cylinder. Measured and simulated radiation patterns and the direction of maximum H co-polarization (Hco) as a function of the cylinder radius are presented.

Jordan, Jennifer L.↗
NASA NTRS2007

Modeling of Radiative Transfer in Protostellar Disks

This program implements a spectral line, radiative transfer tool for interpreting Spitzer Space Telescope observations by matching them with models of protostellar disks for improved understanding of planet and star formation. The Spitzer Space Telescope detects gas phase molecules in the infrared spectra of protostellar disks, with spectral lines carrying information on the chemical composition of the material from which planets form. Input to the software includes chemical models developed at JPL. The products are synthetic images and spectra for comparison with Spitzer measurements. Radiative transfer in a protostellar disk is primarily affected by absorption and emission processes in the dust and in molecular gases such as H2, CO, and HCO. The magnitude of the optical absorption and emission is determined by the population of the electronic, vibrational, and rotational energy levels. The population of the molecular level is in turn determined by the intensity of the radiation field. Therefore, the intensity of the radiation field and the population of the molecular levels are inter-dependent quantities. To meet the computational challenges of solving for the coupled radiation field and electronic level populations in disks having wide ranges of optical depths and spatial scales, the tool runs in parallel on the JPL Dell Cluster supercomputer with C++ and Fortran compiler with a Message Passing Interface. Because this software has been developed on a distributed computing platform, the modeling of systems previously beyond the reach of available computational resources is possible.

VonAllmen, Paul↗
NASA NTRS2010

Comparative Spectra of Oxygen-Rich Versus Carbon-Rich Circumstellar Shells: VY Canis Majoris and IRC(plus)10216 at 215-285 GHz

A sensitive (1sigma rms at 1 MHz resolution approx.3 mK) 1 mm spectral line survey (214.5-285.5 GHz) of VY Canis Majoris (VY CMa) and IRC +10216 has been conducted to compare the chemistries of oxygen- and carbon-rich circumstellar envelopes. This study was carried out using the Submillimeter Telescope of the Arizona Radio Observatory with a new Atacama Large Millimeter Array type receiver. This survey is the first to chemically characterize an O-rich circumstellar shell at millimeter wavelengths. In VY CMa, 128 emission features were detected arising from 18 different molecules; and in IRC +10216, 720 lines were observed, assigned to 32 different species. The 1 mm spectrum of VY CMa is dominated by SO, and SiS; in IRC +10216, C4H and SiC2 are the most recurrent species. Ten molecules were common to both sources: CO, SiS, SiO, CS, CN, HCN, HNC, NaCl, PN, and HCO(+). Sulfur plays an important role in VY CMa, but saturated/ unsaturated carbon dominates the molecular content of IRC +102.16, producing CH2NH, for example. Although the molecular complexity of IRC +10216 is greater, VY CMa supports a unique "inorganic" chemistry leading to the oxides PO, AlO, and AlOH. Only diatomic and triatomic compounds were observed in VY CMa, while species with four or more atoms are common in IRC +10216, reflecting carbon's ability to form multiple strong bonds, unlike oxygen. In VY CMa, a new water maser (v2 = 2) has been found, as well as vibrationally excited NaCl. Toward IRC +10216, vibrationally excited CCH was detected for the first time.

Tenebaum, E. D.↗
NASA NTRS2011

Emission Lines from the Gas Disk Around TW Hydra and the Origin of the Inner Hole

We compare line emission calculated from theoretical disk models with optical to submillimeter wavelength observational data of the gas disk surrounding TW Hya and infer the spatial distribution of mass in the gas disk. The model disk that best matches observations has a gas mass ranging from approx.10(exp −4) to 10(exp −5) M for 0.06AU < r < 3.5 AU and approx. 0.06M for 3.5AU < r < 200 AU. We find that the inner dust hole (r < 3.5 AU) in the disk must be depleted of gas by approx. 1-2 orders of magnitude compared with the extrapolated surface density distribution of the outer disk. Grain growth alone is therefore not a viable explanation for the dust hole. CO vibrational emission arises within r approx. 0.5 AU from thermal excitation of gas. [O i] 6300Å and 5577Å forbidden lines and OH mid-infrared emission are mainly due to prompt emission following UV photodissociation of OH and water at r < or approx. 0.1 AU and at r approx. 4 AU. [Ne ii] emission is consistent with an origin in X-ray heated neutral gas at r < or approx. 10 AU, and may not require the presence of a significant extreme-ultraviolet (hν > 13.6 eV) flux from TW Hya. H2 pure rotational line emission comes primarily from r approx. 1 to 30 AU. [Oi] 63microns, HCO+, and CO pure rotational lines all arise from the outer disk at r approx. 30-120 AU. We discuss planet formation and photoevaporation as causes for the decrease in surface density of gas and dust inside 4 AU. If a planet is present, our results suggest a planet mass approx. 4-7MJ situated at ∼3 AU. Using our photoevaporation models and the best surface density profile match to observations, we estimate a current photoevaporative mass loss rate of 4x10(exp −9M)/yr and a remaining disk lifetime of approx.5 million years.

Planet-Disk interactions↗
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 NTRS2017

Multiwavelength Characterization of an ACT-Selected, Lensed Dusty Star-Forming Galaxy at zeta 2.64

We present C I(21) and multi-transition C-12 O observations of a dusty star-forming galaxy, ACT J2029+0120,which we spectroscopically confirm to lie at zeta = 2.64. We detect CO(3-2), CO(5-4), CO(7-6), CO(8-7), and C I(2-1) at high significance, tentatively detect HCO+(4-3), and place strong upper limits on the integrated strength of dense gas tracers (HCN(4-3) and CS(7-6)). Multi-transition CO observations and dense gas tracers can provide valuable constraints on the molecular gas content and excitation conditions in high-redshift galaxies. We therefore use this unique data set to construct a CO spectral line energy distribution (SLED) of the source, which is most consistent with that of a ULIRG Seyfert or QSO host object in the taxonomy of the Herschel Comprehensive ULIRG Emission Survey. We employ RADEX models to fit the peak of the CO SLED, inferring a temperature of T approximately 117 K and n(sub H2) approximately 10(exp5) cm(exp -3), most consistent with a ULIRGQSO object and the presence of high-density tracers. We also find that the velocity width of the C I line is potentially larger than seen in all CO transitions forth is object, and that the L'(sub Ci(2-1))/L'(sub CO(3-2))ratio is also larger than seen in other lensed and unlensed submillimeter galaxies and QSO hosts; if confirmed, this anomaly could be an effect of differential lensing of a shocked molecular outflow.

Roberts-Borsani, G. W.↗