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At least 145 records · Page 8

Stoichiometrically coupled carbon and nitrogen cycling in the MIcrobial-MIneral Carbon Stabilization model version 1.0 (MIMICS-CN v1.0)

Explicit consideration of microbial physiology in soil biogeochemical models that represent coupled carbon–nitrogen dynamics presents opportunities to deepen understanding of ecosystem responses to environmental change. The MIcrobial-MIneral Carbon Stabilization (MIMICS) model explicitly represents microbial physiology and physicochemical stabilization of soil carbon (C) on regional and global scales. Here we present a new version of MIMICS with coupled C and nitrogen (N) cycling through litter, microbial, and soil organic matter (SOM) pools. The model was parameterized and validated against C and N data from the Long-Term Inter-site Decomposition Experiment Team (LIDET; six litter types, 10 years of observations, and 13 sites across North America). The model simulates C and N losses from litterbags in the LIDET study with reasonable accuracy (C: R 2 =0.63; N: R 2 =0.29), which is comparable with simulations from the DAYCENT model that implicitly represents microbial activity (C: R 2 =0.67; N: R 2 =0.30). Subsequently, we evaluated equilibrium values of stocks (total soil C and N, microbial biomass C and N, inorganic N) and microbial process rates (soil heterotrophic respiration, N mineralization) simulated by MIMICS-CN across the 13 simulated LIDET sites against published observations from other continent-wide datasets. We found that MIMICS-CN produces equilibrium values in line with measured values, showing that the model generates plausible estimates of ecosystem soil biogeochemical dynamics across continental-scale gradients. MIMICS-CN provides a platform for coupling C and N projections in a microbially explicit model, but experiments still need to identify the physiological and stoichiometric characteristics of soil microbes, especially under environmental change scenarios.

58 GEOSCIENCES↗

Mean lifetimes and equilibrium abundances in the fast CN cycle.

It is shown that the production of small nitrogen to carbon ratios is possible, in contrast to the equilibrium production in the ordinary CN cycle. Associated with such a production are high ratios of C-13/C-12 and of N-15/N-14. The final ratios depend on the conditions under which cessation of hydrogen burning occurs under astrophysical circumstances. A table showing proton capture mean lifetimes of CN nuclei is provided together with tables of the equilibrium abundances in a fast CN cycle. The ratios of final abundances of nitrogen to carbon as functions of temperature are also presented.

Caughlan, G. R.↗

Laser measurements of the radiative lifetime of the B state of CN

A turnable dye laser was used to measure the radiative lifetime of the individual rotational levels of the B2 Sigma (+) state of CN. The radiative lifetime of the unperturbed rotational levels is 65.6 plus or minus 1.0 nsec. A longer radiative lifetime of 72 plus or minus 1 nsec is observed for the Kaon prime = 4 level of the B state. The measured values of the perturbed and unperturbed levels support the longer lifetimes for the A2 meson pion state of CN. The quenching cross section of the B2 Sigma state of CN is 41 plus or minus 20 Angstroms squared and is independent of the rotational energy of the B state.

Jackson, W. M.↗

On the detection of newly created CN radicals and comets

Laboratory investigations of CN radical formation by photodissociation of parent molecules have suggested the possibility of observing emission lines in cometary spectra from newly formed CN radicals. These laboratory studies have shown that high initial internal excitation of CN is the rule with excitation of rotational levels N up to 70. In the collisionless environment of the cometary atmosphere this initial excitation would yield a corresponding distribution for the lowest vibrational level of the ground X(2) Sigma (+) state. Our calculations show that it is feasible with present observational techniques to detect photochemically excited lines with N approx. equal to 30 in the 0-0 band of the violet system.

Donn, B.↗

On the detection of newly created CN radicals in comets

A description is presented of laboratory measurements concerning the amount and the distribution of energy released into newly formed radicals by the photodissociation process. The experimental method used involved flash photolysis of the parent compound followed by laser induced fluorescence detection of the CN fragment. This method allowed the detection of individual rotational lines and, thereby, a monitoring of the relative populations of the vibrational-rotational levels of the CN ground state. The results obtained in the investigation suggest the possibility of observing emission lines in cometary spectra from newly formed CN radicals. Calculations show that it is feasible with present observational techniques to detect photochemically excited lines in the 0-0 band of the violet system.

Donn, B.↗

Radio observations of interstellar CN toward diffuse clouds, dark clouds, black clouds, and circumstellar clouds

Emission at 113 GHz from the CN molecule has been searched for in a large number of interstellar regions, primarily dark dust clouds. Lines have been detected in four dark clouds, the first time CN has been observed in this type of object. Comparative CO observations were also performed. The CN/CO abundance ratio varies from cloud to cloud, even among objects which are apparently otherwise similar. This variation suggests that the chemistry of dark clouds may be time-dependent. A previously reported detection of CN emission from a diffuse cloud was not confirmed. Several black clouds and circumstellar clouds were reobserved to obtain better line parameters and to serve as comparative interstellar chemical systems.

Allen, M.↗

The photochemistry of some possible cometary CN parent species

Laboratory work on the photochemistry of HC3N, C4N2, and CH3CN in relation to their possible role as CN parent molecules in comets is discussed. Photodissociation of HC3N, photolysis of C4N2, and quantum yields of excited CN(B) and CN(A) radicals from the VUV photolysis of CH3CN are considered.

Halpern, Joshua B.↗

Interstellar C2, CH, and CN in translucent molecular clouds

Optical absorption-line techniques have been applied to the study of a number of translucent molecular clouds in which the total column densities are large enough that substantial molecular abundances can be maintained. Results are presented for a survey of absorption lines of interstellar C2, CH, and CN. Detections of CN through the A 2Pi-X 2Sigma(+) (1,O) and (2,O) bands of the red system are reported and compared with observations of the violet system for one line of sight. The population distributions in C2 provide diagnostic information on temperature and density. The measured column densities of the three species can be used to test details of the theory of molecule formation in clouds where photoprocesses still play a significant role. The C2 and CH column densities are strongly correlated with each other and probably also with the H2 column density. In contrast, the CN column densities are found to vary greatly from cloud to cloud. The observations are discussed with reference to detailed theoretical models.

Black, John H.↗

Electron densities and the excitation of CN in molecular clouds

In molecular clouds of modest density and relatively high fractional ionization, the rotational excitation of CN is controlled by a competition among electron impact, neutral impact and the interaction with the cosmic background radiation. The degree of excitation can be measured through optical absorption lines and millimeter-wave emission lines. The available, accurate data on CN in diffuse and translucent molecular clouds are assembled and used to determine electron densities. The derived values, n(e) = roughly 0.02 - 0.5/cu cm, imply modest neutral densities, which generally agree well with determinations by other techniques. The absorption- and emission-line measurements of CN both exclude densities higher than n(H2) = roughly 10 exp 3.5/cu cm on scales varying from 0.001 to 60 arcsec in these clouds.

Black, John H.↗

Time-dependent analysis of 8 days of CN spatial profiles in comet P/Halley

CN profiles in comet P/Halley were constructed from observations taken at three observatories during an 8 day period in April 1986. These data provide a time series of CN spatial profiles spanning just over one 7.37 day period from 1986 April 7 to April 15 and sample distances from the nucleus from just over 10(exp 3) km to 10(exp 6) km. The effect of the 7.37 day periodic variation on the CN distribution in P/Halley has been examined by using the time-dependent model applied earlier to a subset of the data. Because of the large spatial scale of the data on April 7, 8, and 9 (approx. 10(exp 6) km), and the corresponding transport time in the coma, information present in the spatial profiles regarding the gas production rate actually covers nearly two full periods. These spatially extended profiles clearly show the wavy structures outside 10(exp 5) km. Such structures were predicted in a previous analysis (Combi & Fink 1993) that was based solely on the photometric light curve and on profiles which only extended to distances less than 10(exp 5) km. We are now able to reproduce the highly variable Halley correction for the variation in gas production rate.

Combi, Michael↗

Differentiating Between H and F or H and CN on C(III) or Si(III) Surfaces

A Sc tipped probe molecule yields a larger difference for the probe-H vs probe-F interaction energies than our previously studied, electron-rich pyridine (C5H5N) and (CH3)3PO probes. However, the electron-deficient Sc tipped probe does not eliminate the probe-nearest data neighbor interaction problem associated with the C(III) surface. The difference in the probe-H and probe-F interaction energies is smaller for Si(III) than C(III), making it more difficult to differentiate between these two atoms on Si(III). The larger lattice constant for Si(III) significantly reduces the data atom-data atom interaction energy as well as the probe-neighbor interaction energies. This means that the H/CN system which is not practical for C(III) due to the CN-CN repulsion, is possible for Si(III). The difference in the probe-H and probe-CN interaction energies is very large for the H/CN data storage system, making this the best system studied to date. This system could be used on C(III) if a hydrogen 'fence' is built around each data site, which corresponds to using only one quarter of the surface sites for data storage.

Bauschlicher, Charles W.↗

ortho -Fluoro or ortho Effect? Oxidative Addition of Zerovalent Nickel into the C–CN Bond of Substituted Benzonitriles

Substitution effects on the oxidative addition of [Ni(dmpe)] to the C—CN bond of CF 3 and CH 3 substituted benzonitriles was studied by DFT and compared to their F analogs. C—CN oxidative addition products were stabilized slightly more by the first o-CF 3 group (-7.4 kcal/mol) compared to F groups (-6.6 kcal/mol per o-F), but due to steric crowding the second o-CF 3 group did not show considerably more stabilization (-0.8 kcal/mol). CH 3 groups led to destabilization.

02 PETROLEUM↗

Materials Data on KTl(CN)4 by Materials Project

KTl(CN)4 crystallizes in the tetragonal I4_1/a space group. The structure is three-dimensional and consists of two KTl(CN)4 frameworks. K1+ is bonded in a tetrahedral geometry to four equivalent N3- atoms. All K–N bond lengths are 2.90 Å. Tl1+ is bonded in a tetrahedral geometry to four equivalent C+2.50+ atoms. All Tl–C bond lengths are 2.21 Å. C+2.50+ is bonded in a linear geometry to one Tl1+ and one N3- atom. The C–N bond length is 1.17 Å. N3- is bonded in a distorted bent 120 degrees geometry to one K1+ and one C+2.50+ atom.

36 MATERIALS SCIENCE↗

Materials Data on LiB(CN)4 by Materials Project

LiBC4N4 is Tetraauricupride structured and crystallizes in the cubic P-43m space group. The structure is zero-dimensional and consists of one boron, metallic molecule and one Li(CN)4 cluster. In the Li(CN)4 cluster, Li1+ is bonded in a tetrahedral geometry to four equivalent N3- atoms. All Li–N bond lengths are 2.06 Å. C2+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.16 Å. N3- is bonded in a linear geometry to one Li1+ and one C2+ atom.

36 MATERIALS SCIENCE↗

Materials Data on FeSn2(CN)6 by Materials Project

Sn2Fe(CN)6 crystallizes in the trigonal P-3 space group. The structure is two-dimensional and consists of one Sn2Fe(CN)6 sheet oriented in the (0, 0, 1) direction. Fe2+ is bonded in an octahedral geometry to six equivalent C+1.33+ atoms. All Fe–C bond lengths are 1.88 Å. Sn4+ is bonded in a distorted T-shaped geometry to three equivalent N3- atoms. All Sn–N bond lengths are 2.26 Å. C+1.33+ is bonded in a linear geometry to one Fe2+ and one N3- atom. The C–N bond length is 1.18 Å. N3- is bonded in a bent 150 degrees geometry to one Sn4+ and one C+1.33+ atom.

36 MATERIALS SCIENCE↗

Materials Data on Cd(CN)2 by Materials Project

Cd(CN)2 is Tungsten structured and crystallizes in the tetragonal P4_2nm space group. The structure is zero-dimensional and consists of two Cd(CN)2 clusters. Cd2+ is bonded in a water-like geometry to two equivalent N3- atoms. Both Cd–N bond lengths are 2.23 Å. C2+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.17 Å. N3- is bonded in a linear geometry to one Cd2+ and one C2+ atom.

36 MATERIALS SCIENCE↗

Materials Data on Al(CN)3 by Materials Project

Al(CN)3 is Modderite-derived structured and crystallizes in the tetragonal P-42_1m space group. The structure is zero-dimensional and consists of two Al(CN)3 clusters. Al3+ is bonded in a T-shaped geometry to three N3- atoms. There is one shorter (1.96 Å) and two longer (1.97 Å) Al–N bond length. There are two inequivalent C2+ sites. In the first C2+ site, C2+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.16 Å. In the second C2+ site, C2+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.17 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a linear geometry to one Al3+ and one C2+ atom. In the second N3- site, N3- is bonded in a linear geometry to one Al3+ and one C2+ atom.

36 MATERIALS SCIENCE↗

Materials Data on Be(CN)2 by Materials Project

Be(CN)2 is Tungsten structured and crystallizes in the tetragonal P4_2nm space group. The structure is zero-dimensional and consists of two Be(CN)2 clusters. Be2+ is bonded in a water-like geometry to two equivalent N3- atoms. Both Be–N bond lengths are 1.69 Å. C2+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.16 Å. N3- is bonded in a linear geometry to one Be2+ and one C2+ atom.

36 MATERIALS SCIENCE↗