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10 results for “dinitrogen”
Electronic Supporting Information for Catalytic Ammonia Oxidation to Dinitrogen by a Nickel Complex
<p>The dataset provides electronic supporting information in the format of XYZ molecular files, formatted Gaussian checkpoint files, and cube files for atomic spin density distributions for selected complexes obtained while investigating the catalytic mechanism of ammonia oxidation to dinitrogen using a N-heterocyclic carbene containing nickelocene complex.</p> <p>The level of theory used for all calculations is omega-B97xD with def2TZVP basis set. All calculations were performed using the Gaussian16 suite of programmes.</p> <p><strong>Model Set 1</strong> contains the metal free compounds and were used to calculate the overall thermodynamics of the ammonia oxidation reaction.</p> <p><strong>Model Set 2</strong> corresponds to the most truncated, in vacuo optimized structures.</p> <p><strong>Model Set 3</strong> comprises from non-truncated, realistic structures embedded in polarizable continuum model of benzene.</p> <p> </p>
Data for: "Iron promoted end-on dinitrogen-bridging in heterobimetallic complexes of uranium and lanthanides"
<p>RAW DATA FOR ARTICLE DATE: APRIL 2024 TITLE: Iron promoted end-on dinitrogen-bridging in heterobimetallic complexes of uranium and lanthanides AUTHORS: Nadir Jori, Juan J Moreno, K A Keerthi Shivaraam, Thalayan Rajeshkumar, Rosario Scopelliti, Laurent Maron, Jesus Campos and Marinella Mazzanti JOURNAL: Chemical Science 2024</p>
Dinitrogen Reduction and Functionalization by a Siloxide Supported Thulium-Potassium Complex for the Formation of Ammonia or Hydrazine Derivatives
<p>The dinitrogen (N2) chemistry of lanthanides remainsless developed compared to the d-block metals and lanthanide-promoted N2 functionalization chemistry in well-defined lanthanidecomplexes remains elusive. Here we report the synthesis andcharacterization (SQUID, EPR, DFT, X-Ray) of the siloxidesupported heterobimetallic (Tm/K) complexes[{KTm(OSi(OtBu)3)3}2(μ-η2:η2-N2)] (1) and [K3{Tm(OSi(OtBu)3)3}2(μ-η2:η2-N2)] (2). Complex 2 provides a rare example of a metalcomplex of the triply reduced N23- radical. The structure of 2 differsfrom the few previously reported N23- complexes as it presents twoTm and three K cations binding the N23- radical, facilitating N2functionalization. Notably, the K3Tm2-bound N23- moiety reacts withexcess H+ to form NH4Cl in 18% yield, and with MeOTf at roomtemperature to yield the dimethyl hydrazido complex[K2{Tm(OSi(OtBu)3)3}2(μ-(CH3)NN(CH3))] (3). Protonolysis of 3yields MeHN-NMeH·2HCl in 18 % yield.</p>
Data from: High rates of carbon and dinitrogen fixation suggest a critical role of benthic pioneer communities in the energy and nutrient dynamics of coral reefs
<p>1. Following coral mortality in tropical reefs, pioneer communities dominated by filamentous and crustose algae efficiently colonize substrates previously occupied by coral tissue. This phenomenon is particularly common after mass coral mortality following prolonged bleaching events associated with marine heatwaves.</p> <p>2. Pioneer communities play an important role for the biological succession and reorganization of reefs after disturbance. However, their significance for critical ecosystem functions previously mediated by corals, such as the efficient cycling of carbon (C) and nitrogen (N) within the reef, remains uncertain.</p> <p>3. We used 96 carbonate tiles to simulate the occurrence of bare substrates after disturbance in a coral reef of the central Red Sea. We measured rates of C and dinitrogen (N<sub>2</sub>) fixation of pioneer communities on these tiles monthly over an entire year. Coupled with elemental and stable isotope analyses, these measurements provide insights into macronutrient acquisition, export, and the influence of seasonality.</p> <p>4. Pioneer communities exhibited high rates of C and N<sub>2</sub> fixation within 4 – 8 weeks after the introduction of experimental bare substrates. Ranging from 13 to 25 μmol C cm<sup>−2</sup> d<sup>−1</sup> and 8 to 54 nmol N cm<sup>−2</sup> d<sup>−1</sup>, respectively, C and N<sub>2</sub> fixation rates were comparable to reported values for established Red Sea coral reefs. This similarity indicates that pioneer communities may quickly compensate for the loss of benthic productivity by corals. Notably, between 40 and 85% of fixed organic C was exported into the environment, constituting a vital source of energy for the coral reef food web.</p> <p>5. Our findings suggest that benthic pioneer communities may play a crucial, yet overlooked role in the C and N dynamics of oligotrophic coral reefs by contributing to the input of new C and N after coral mortality. While not substituting other critical ecosystem functions provided by corals (e.g. structural habitat complexity and coastal protection), pioneer communities likely contribute to maintaining coral reef nutrient cycling through the accumulation of biomass and import of macronutrients following coral loss.</p>
Data for: "Dinitrogen Cleavage by a Dinuclear Uranium(III) Complex"
<p>RAW DATA FOR ARTICLE DATE: OCTOBER 2023 TITLE: Dinitrogen Cleavage by a Dinuclear Uranium(III) Complex AUTHORS: Nadir Jori, Megan R. Keener, Thayalan Rajeshkumar, Rosario Scopelliti, Laurent Maron, and Marinella Mazzanti JOURNAL: Chemical Science 2023</p>
Data from: High rates of carbon and dinitrogen fixation suggest a critical role of benthic pioneer communities in the energy and nutrient dynamics of coral reefs
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Rapid conversion of added nitrate to nitrous oxide and dinitrogen in northern forest soil
This data package contains the data from the following publication: Kulkarni, M.V., Yavitt, J.B., & Groffman, P.M. (2017). Rapid conversion of added nitrate to nitrous oxide and dinitrogen in northern forest soil. Geomicrobiology Journal 34(8): 670-676. These data were gathered as part of the Hubbard Brook Ecosystem Study (HBES). The HBES is a collaborative effort at the Hubbard Brook Experimental Forest, which is operated and maintained by the USDA Forest Service, Northern Research Station.
Dinitrogen, nitrous oxide, and anaerobic ammonium oxidation for assessment of warming and ocean acidification impacts on unvegetated estuarine sediments
<p><span>Datasets are made publically available for publication with Communications Earth and Environment, associated with article: "Ocean acidification offsets the effect of warming on sediment denitrification and associated nitrous oxide production". </span><span>Dataset S1. N<sub>2</sub> data (Simone et al., - ds01), Dataset S2. N<sub>2</sub>O data (Simone et al., - ds02), Dataset S3. Anaerobic ammonium oxidation slurry data (Simone et al., - ds03).</span></p>
Data from: Drought-adapted plants dramatically downregulate dinitrogen fixation: evidences from Mediterranean legume shrubs
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HIRDLS/Aura Level 3 Dinitrogen Pentoxide (N2O5) 1deg Lat Zonal Fourier Coefficients V007 (H3ZFCN2O5) at GES DISC
The "HIRDLS/Aura Level 3 Dinitrogen Pentoxide (N2O5) Zonal Fourier Coefficients" version 7 data product (H3ZFCN2O) contains the entire mission (~3 years) of HIRDLS data expressed as zonal Fourier coefficients in 1 degree latitude bands from -64 to 80 degrees at 121 pressure levels. The coefficients are computed from the HIRDLS Level 2 profiles with a Kalman filter approach using both forward and backward passes in time. Expressed as the mean and up to 7 sine and cosine coefficients (4 waves for ascending and descending, 7 waves for combined), these coefficients may be used to compute values at any longitude. The data are provided on a pressure grid with 24 levels per decade, corresponding to about 1 km vertical resolution. The useful vertical range of the data is 82.5 to 1.0 hPa. The precision values are given by the root-mean square of the differences between the estimated fields and the input data.The data are stored in the version 5 Hierarchical Data Format for the Earth Observing System (HDF-EOS5), which is an extension of the HDF5 format. Each file contains a zonal object with data for the entire mission with separate data fields for ascending (daytime), descending (nighttime), and combined orbit node.
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