Temperature dependent rotational transition lineshape parameters for O(sub 3), O(sub 2), SO(sub 2), CH(sub 3)CN and CO
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atmospheric spectra linewidths rotational spectra↗
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The Submillimeter-Wave Spectrum of Isotopic Methyl Cyanide
The laboratory submillimeter-wave rotational spectrum of the 13 CH 3 CN, CH 3 13 CN, and the CH 3 C 15 N isotopomers of methyl cyanide has been observed in natural abundance in the 294 to 607 GHz region. The maximum J and K values are 34 an 14, respectively. Fifteen additional CH 3 CN transitions up to K=21 were also measured. The transitions of all four species are fitted to a symmetric top Hamiltonian and the rotation and distortion constants are determined. The 14 N quadropole and spin rotation are also calculated and presented. Suggested values for many other parameters which could not be directly determined from the isotope spectra are calculated from the normal species values and isotope relationships. The determined and calculated constants should predict the spectrum of the three isotopomers to well over 1 THz accurately enough for astronomical assignments.
methyl↗
Gas Sources from the Coma and Nucleus of Comet 46P/Wirtanen Observed Using ALMA
Gas-phase molecules in cometary atmospheres (comae) originate primarily from (1) outgassing by the nucleus, (2) sublimation of icy grains in the near-nucleus coma, and (3) coma (photo)chemical processes. However, the majority of cometary gases observed at radio wavelengths have yet to be mapped, so their production/release mechanisms remain uncertain. Here we present observations of six molecular species toward comet 46P/Wirtanen, obtained using the Atacama Large Millimeter/submillimeter Array during the comet's unusually close (∼0.1 au) approach to Earth in 2018 December. Interferometric maps of HCN, CH 3 OH, CH 3 CN, H 2 CO, CS, and HNC were obtained at an unprecedented sky-projected spatial resolution of up to 25 km, enabling the nucleus and coma sources of these molecules to be accurately quantified. The HCN, CH 3 OH, and CH 3 CN spatial distributions are consistent with production by direct outgassing from (or very close to) the nucleus, with a significant proportion of the observed CH 3 OH originating from sublimation of icy grains in the near-nucleus coma (at a scale length L p = 36 ± 7 km). On the other hand, H 2 CO, CS, and HNC originate primarily from distributed coma sources (with L p values in the range 550–16,000 km), the identities of which remain to be established. The HCN, CH 3 OH, and HNC abundances in 46P are consistent with the average values previously observed in comets, whereas the H 2 CO, CH 3 CN, and CS abundances are relatively low.
Short period comets↗
What Controls the Vertical Distribution of Aerosol? Relationships Between Process Sensitivity in HadGEM3-UKCA and Inter-Model Variation from AeroCom Phase II
The vertical profile of aerosol is important for its radiative effects, but weakly constrained by observations on the global scale, and highly variable among different models. To investigate the controlling factors in one particular model, we investigate the effects of individual processes in HadGEM3-UKCA and compare the resulting diversity of aerosol vertical profiles with the inter-model diversity from the AeroCom Phase II control experiment. In this way we show that (in this model at least) the vertical profile is controlled by a relatively small number of processes, although these vary among aerosol components and particle sizes. We also show that sufficiently coarse variations in these processes can produce a similar diversity to that among different models in terms of the global-mean profile and, to a lesser extent, the zonal-mean vertical position. However, there are features of certain models' profiles that cannot be reproduced, suggesting the influence of further structural differences between models. In HadGEM3-UKCA, convective transport is found to be very important in controlling the vertical profile of all aerosol components by mass. In-cloud scavenging is very important for all except mineral dust. Growth by condensation is important for sulfate and carbonaceous aerosol (along with aqueous oxidation for the former and ageing by soluble material for the latter). The vertical extent of biomass-burning emissions into the free troposphere is also important for the profile of carbonaceous aerosol. Boundary-layer mixing plays a dominant role for sea salt and mineral dust, which are emitted only from the surface. Dry deposition and below-cloud scavenging are important for the profile of mineral dust only. In this model, the microphysical processes of nucleation, condensation and coagulation dominate the vertical profile of the smallest particles by number (e.g. total CN >3 nm), while the profiles of larger particles (e.g. CN>100 nm) are controlled by the same processes as the component mass profiles, plus the size distribution of primary emissions. We also show that the processes that affect the AOD-normalised radiative forcing in the model are predominantly those that affect the vertical mass distribution, in particular convective transport, in-cloud scavenging, aqueous oxidation, ageing and the vertical extent of biomass-burning emissions.
dust↗
New Molecular Species In Comet C/1995 (Hale-Bopp) Observed with the Caltech Submillimeter Observatory
We present millimeter-wave observations of HNCO, HC3N, SO, NH2CHO, H(13)CN, and H3O(+) in comet C/1995 O1 (Hale-Bopp) obtained in February-April, 1997 with the Caltech Submillimeter Observatory (CSO). HNCO, first detected at the CSO in comet C/1996 B2 (Hyakutake), is securely confirmed in comet Hale-Bopp via observations of three rotational transitions. The derived abundance with respect to H2O is (4-13) x 10(exp -4). HC3N, SO, and NH2CHO are detected for the first time in a comet. The fractional abundance of HC3N based on observations of three rotational lines is (1.9 +/- 0.2) x 10(exp -4). Four transitions of SO are detected and the derived fractional abundance, (2-8) x 10(exp -3), is higher than the upper limits derived from UV observations of previous comets. Observations of NH2CHO imply a fractional abundance of (1-8) x 10(exp -4). H3O(+) is detected for the first time from the ground. The H(13)CN (3-2) transition is also detected and the derived HCN/H(13)CN abundance ratio is 90 +/- 15, consistent with the terrestrial C-13/C-12 ratio. in addition, a number of other molecular species are detected, including HNC, OCS, HCO(+), CO(+), and CN (the last two are first detections in a comet at radio wavelengths).
Lis, D. C.↗
Prediction of electron density in the boundary layer on entry vehicles with ablation
A rather general computer code has been developed for the numerical solution of the laminar boundary layer and thin shock layer (stagnation point only) equations for a multi-component gas mixture with finite reaction rates. The purpose of this paper is to indicate the capabilities of this computer program by presenting solutions for pure air flows and flows with carbon ablation. At the body surface the effects of oxidation and sublimation of carbon are taken into account with the following species included in the gas model: 0 2 , N 2 , O, N, NO, NO + , C 1 , C 2 , C 3 , CN, CO, and CO 2 . Results for the boundary layer along a 10° half-angle hyperboloid with ablation of carbon are compared to pure air results. Shock layer results for several wall temperatures and altitudes are presented and compared to pure air results. Other types of problems that can be solved with this computer code are indicated.
F. G. Blottner↗
Measurements of Titan’s Stratospheric Winds during the 2009 Equinox with the eSMA
Saturn’s moon Titan possesses stratospheric zonal winds that places it among a sparse class of planetary bodies known to have superrotation in their atmospheres. Few measurements have been made of these speeds in the upper stratosphere, leaving their seasonal variations still not well understood. We examined observations made with the extended Submillimeter Array in 2009 March ( L s = 355°) and 2010 February ( L s = 5°), shortly before and after Titanʼs northern spring equinox. Cassini observations and atmospheric models find equinoctial periods to be especially dynamic. Zonal wind calculations, derived from the Doppler frequency shift of CH 3 CN near 349.4 GHz, yielded speeds of 128 ± 27 m s −1 in 2009 and 209 ± 48 m s −1 in 2010. We estimated the measured emission to originate from vertical altitudes of 336 +112 - 88 km, equivalent to pressures of 3.8 +19.2 -3.4 Pa, commensurate with Titan’s upper stratosphere/lower mesosphere. This suggests a possible increase in zonal speeds during this period. The results are then compared to those from previous Cassini-inferred and direct-interferometric observations of winds, as well as general circulation model simulations, to form a more complete picture of the seasonal cycle of stratospheric zonal winds.
Siobhan Light↗
Organometallic Compounds as Carriers of Extraterrestrial Cyanide in Primitive Meteorites
Extraterrestrial delivery of cyanide may have been crucial for the origin of life on Earth since cyanide is involved in the abiotic synthesis of numerous organic compounds found in extant life; however, little is known about the abundance and species of cyanide present in meteorites. Here, we report cyanide abundance in a set of CM chondrites ranging from 50 ± 1 to 2472 ± 38 nmol·g1, which relates to the degree of aqueous alteration of the meteorite and indicates that parent body processing inuenced cyanide abundance. Analysis of the Lewis Cliff 85311 meteorite shows that its releasable cyanide is primarily in the form of [FeII (CN)5(CO)]3 and [FeII(CN)4(CO)2]2-. Meteoritic delivery of iron cyanocarbonyl complexes to early Earth likely provided an important point source of free cyanide. Iron cyanocarbonyl complexes may have served as precursors to the unusual FeII(CN)(CO) moieties that form the catalytic centers of hydrogenases, which are thought to be among the earliest enzymes.
cyanide↗
Rate of Iron Transfer Through the Horse Spleen Ferritin Shell Determined by the Rate of Formation of Prussian Blue and Fe-desferrioxamine Within the Ferritin Cavity
Iron (2+ and 3+) is believed to transfer through the three-fold channels in the ferritin shell during iron deposition and release in animal ferritins. However, the rate of iron transit in and out through these channels has not been reported. The recent synthesis of [Fe(CN)(sub 6)](3-), Prussian Blue (PB) and desferrioxamine (DES) all trapped within the horse spleen ferritin (HoSF) interior makes these measurements feasible. We report the rate of Fe(2+) penetrating into the ferritin interior by adding external Fe(2+) to [Fe(CN)(sub 6)](3-) encapsulated in the HoSF interior and measuring the rate of formation of the resulting encapsulated PB. The rate at which Fe(2+) reacts with [Fe(CN)(sub 6)](3-) in the HoSF interior is much slower than the formation of free PB in solution and is proceeded by a lag period. We assume this lag period and the difference in rate represent the transfer of Fe(2+) through the HoSF protein shell. The calculated diffusion coefficient, D approx. 5.8 x 10(exp -20) square meters per second corresponds to the measured lag time of 10-20 s before PB forms within the HoSF interior. The activation energy for Fe(2+) transfer from the outside solution through the protein shell was determined to be 52.9 kJ/mol by conducting the reactions at 10 to approximately 40 C. The reaction of Fe(3+) with encapsulated [Fe(CN)6](4-) also readily forms PB in the HoSF interior, but the rate is faster than the corresponding Fe(2+) reaction. The rate for Fe(3+) transfer through the ferritin shell was confirmed by measuring the rate of the formation of Fe-DES inside HoSF and an activation energy of 58.4 kJ/mol was determined. An attempt was made to determine the rate of iron (2+ and 3+) transit out from the ferritin interior by adding excess bipyridine or DES to PB trapped within the HoSF interior. However, the reactions are slow and occur at almost identical rates for free and HoSF-encapsulated PB, indicating that the transfer of iron from the interior through the protein shell is faster than the rate-limiting step of PB dissociation. The method described in this work presents a novel way of determining the rate of transfer of iron and possibly other small molecules through the ferritin shell.
Zhang, Bo↗
The Effects of an Improved Dynamic Vegetation Phenology Representation in a Global Land Surface Model
Evapotranspiration (ET) is a major driver of the interaction between the land surface and the atmosphere through its component mechanisms, including plant transpiration (T) and soil evaporation. To accurately capture land-atmosphere interactions in global Earth System Models, it is thus critical that the underlying land surface models accurately model both the land hydrology as well as the dynamic response of vegetation to environmental drivers. In an effort to introduce a more realistic vegetation representation, the NASA Catchment land surface model, which is part of the Goddard Earth Observing System (GEOS), has previously been merged with the carbon and nitrogen physics modules of the Community Land Model version 4, resulting in the new Catchment-CN model. Catchment-CN has inherited the advanced treatment of land surface hydrology of Catchment, but is additionally able to dynamically model the response of vegetation to environmental drivers, in contrast to the fixed vegetation climatology that was prescribed in Catchment. Recently, the parameterization of Catchment-CN vegetation has been augmented to better account for variability of vegetation responses to external forcings within existing plant functional types, and vegetation parameters have been calibrated against Moderate Resolution Imaging Spectrometer observations of the fraction of absorbed photosynthetically radiation. These efforts have led to a significant reduction in the RMSE of modeled photosynthetic activity with respect to observations.This presentation investigates the effect of the improved vegetation representation on the partitioning of ET within Catchment-CN. Specifically, we compare global maps of the T:ET ratio across different temporal scales in (1) the original Catchment model, (2) the original Catchment-CN model, and (3) the augmented and calibrated Catchment-CN model. The modeled T and ET estimates are compared against a comprehensive set of ground observations from various field studies, as well as independent global T:ET estimates from different ET algorithms provided in the context of the Water Cycle Observation Multi-mission Strategy ? Evapotranspiration (WACMOS-ET) initiative.
Kolassa, J.↗
The Mid-Infrared Molecular Inventory Towards Orion IRc2
We present the first high spectral resolution mid-infrared survey in the Orion BN/KL region, covering 7.2 to 28.3μm. With SOFIA/EXES we target the enigmatic source Orion IRc2. While this is in the most prolifically studied massive star-forming region, longer wavelengths and molecular emission lines dominated previous spectral surveys. The mid-infrared observations in this work access different components and molecular species in unprecedented detail. We unambiguously identify two new kinematic components, both chemically rich with multiple molecular absorption lines. The “blue clump” has ν LSR = −7.1 ± 0.7 km s −1 and the “red clump” 1.4 ± 0.5 km s −1 . While the blue and red clump shave similar temperatures and line widths, molecular species in the blue clump have higher column densities. They are both likely linked to pure rotational H 2 emission also covered by this survey. This work provides evidence for the scenario that the blue and red clumps are distinct components unrelated to the classic components in the Orion BN/KL region. Comparison to spectroscopic surveys towards other infrared targets in the region show that the blue clump is clearly extended. We analyze, compare, and present in depth findings on the physical conditions of C 2 H 2 , 13 CCH 2 , CH 4 , CS, H 2 O, HCN, H 13 CN, HNC, NH 3 , and SO 2 absorption lines and an H 2 emission line associated with the blue and red clumps. We also provide limited analysis of H 2 O and SiO molecular emission lines towards Orion IRc2 and the atomic forbidden transitions [FeII], [SI], [SIII], and [NeII].
Atomic spectroscopy↗
Impact of Aircraft Emissions on NO(sub x) in the Lowermost Stratosphere at Northern Midlatitudes
Airborne measurements of NO, total reactive nitrogen(NO(sub y)), O(sub 3), and condensation nuclei (CN) were made, together with other tracers such as CO and H(sub 2)O, within air traffic corridors over the U.S. and North Atlantic regions in October and November 1997.
aircraft aircraft plumes↗
Ab Initio Electronic Structure Calculations of CNN for CN Excitation Studies
Titan’s atmosphere is composed mostly of N 2 with a small amount of CH 4 , and so, shock layers around craft entering Titan’s atmosphere will contain a variety of molecules formed from H, C, and N atoms, including the cyanogen radical CN. Sensitivity analysis has shown that the radiative heat flux predicted by computational fluid dynamics (CFD) simulations of Titan entry has up to 14% uncertainty due to the rate coefficients for collisional (de)excitation reactions that control the population of CN in its first and second excited states. The red and violet emission bands from CN’s first and second excited states, respectively, are known to be large sources of radiative heat flux on capsules entering Titan’s atmosphere.[2, 3] So, the simulated population of CN in its first and second excited states is very important, but currently has some inherent uncertainty coming from the data for the rate coefficients for reaction 1. The goal of the present project is to provide improved rate coefficient data for these reactions from first principles quantum chemistry calculations. This work reports on preliminary electronic structure calculations generated at a large number of triatomic geometries of interest, which show multiple avoided crossings at collinear arrangements. This suggests that collisional (de)excitation of CN by N atoms is likely to proceed through these geometries.
Eric Geistfeld↗
Observation of CH A->X, Cn B->X, and NH A->X Emissions in Gas-phase Collisions of Fast O ((sup 3)P) Atoms with Hydrazines
Optical emissions in single-collision reactions of fast (20 eV laboratory translational energy) O((sup 3)P) atoms with hydrazine, methylhydrazine, and 1,1-dimethylhydrazine have been measured in a crossed-beams geometry. The emissions were observed in the wavelength range 325-440 nm, and were identified as the CH (A 2(sub A))-->X(sup 2)pi(sub r), (for methylhydrazine), CN (B sup 2) Sigma(sup +) --> X(sup 2) Sigma(sup +) (for methylhydrazine)and NH(A(sup 3)pi --> X(sup3 Sigma) transitions (for all three hydraz vibration-rotation bands were fit to a synthetic spectrum of CH, CN and NH with given vibrational and rotational temperatures.
chemical reactions↗
The CN radical in diffuse interstellar clouds
A survey of 15 lines of sight for the CN B2Sigma(+) X2Sigma(+) interstellar absorption lines shows that the CN column density in diffuse interstellar clouds follows the relation log N(CN) is proportional to m log N(H2), where m is approximately equal to 3. This result is reproduced by a reaction network in which CN is produced primarily from C2 by the neutral-neutral reaction C2 + N yields CN + C, and photodissociation is the main destruction pathway for the neutral molecules CH, C2, and CN. The CN radical is the first molecular species observed in diffuse clouds that requires a neutral-neutral reaction for its formation in the gas phase. The network also reproduces the observed ratio N(CN)/N(H2).
Federman, S. R.↗
Laser induced photoluminescence spectroscopy of cometary radicals
Flash photolysis together with laser excitation of the product fragments was used in laboratory studies of cometary radicals. The LIPS method has been applied to the CN radical to determine: (1) Radiative lifetimes of individual rotational levels in the zeroth vibrational level of the B state; (2) energy partitioning during photodissociation of C2N2; and (3) vibrational and rotational excitation during formation of CN radicals in the photodissociation of dicyanoacetylene.
Jackson, W. M.↗
The near ultraviolet spectra of comets P/Brorsen-Metcalf and Austin
Results are reported on spectrophotometric observations of comets P/Brorsen-Metcalf and Austin from 3000 to 3600 A at a spectral resolution of about 1.8 A. The strongest features are the OH(A-X) 0-0 and 1-1 bands, and the NH(A-X) 0-0 bands. For the first time, the OH(A-X) 0-1 band was clearly found. The existence of the CN(B-X) 2-1 and 3-2 bands were verified and measured. A feature at 3258 A that was first seen in uncalibrated spectra was detected, and was identified as the NH singlet (c-a) 0-0 transition. The CO2(+) features at 3378, 3504, and 3512 A were also firmly identified. This ion was reported as being present in the tail of Comet Bester (1984 I) by Swings and Page (1950). The identification of a weak feature at 3547 A was proposed as the fundamental transition of H2CO, which would make this the first optical cometary detection of this molecule which is very abundant in giant molecular clouds.
Cochran, William D.↗
Unresolved velocity structure in diffuse interstellar clouds
Recent high-resolution observations of interstellar absorption lines of CH and CN toward Zeta Oph obtained by Crane et al. (1986), and Palazzi et al. (1988), exhibit line widths that suggest thermal line broadening at high temperature, T about 1200 K. Observations of CO line emission at 2.6 mm toward Zeta Oph (Langer et al.,1987) indicate that the molecular gas resides in four distinct velocity components that span less than 3 km/s in Doppler velocity. Simulated CH and CN absorption line profiles are compared for high-temperature (T = 1200 K) thermal broadening and for a combination of low-temperature (T = 50 K) thermal plus turbulent broadening. It is shown that the two broadening models reproduce existing observations comparably well and are virtually indistinguishable at a lambda/Delta-lambda ratio of about 100,000. The observed differences in the CH and CN line widths may reflect slightly different distributions of those molecules along the line of sight. The simulations use very recent, improved laboratory spectroscopic data on CH (Bernath). Some related consequences of such unresolved velocity structure on the ultraviolet absorption lines of CO are examined. Indirect diagnostics of temperature in the Zeta Oph cloud favor low-temperature thermal plus turbulent broadening, and the implied rate of dissipation of turbulence is in harmony with estimates of the global input of mechanical energy into to interstellar medium.
Black, John H.↗