Newly designed and prepared vanadium complexes bearing anionic pyrrole-based PNP-type pincer and aryloxy ligands were found to work as effective catalysts for the direct conversion of molecular dinitrogen into ammonia and hydrazine under mild reaction conditions. This is the first successful example of vanadium-catalyzed dinitrogen reduction under mild reaction conditions.
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http://dx.doi.org/10.1002/anie.201802310 | DOI Listing |
ACS Appl Mater Interfaces
January 2025
Department of Anatomy and Physiology, Kansas State University, Manhattan, Kansas 66506, United States.
Metal flux methods are excellent for synthesizing high-quality hexagonal boron nitride (hBN) crystals, but the atomic mechanisms of hBN nucleation and growth in these systems are poorly understood and difficult to probe experimentally. Here, we harness classical reactive molecular dynamics (ReaxFF) to unravel the mechanisms of hBN synthesis from liquid nickel solvent over time scales up to 30 ns. These simulations mimic experimental conditions by including relatively large liquid nickel slabs containing dissolved boron and a molecular nitrogen gas phase.
View Article and Find Full Text PDFJ Phys Chem A
January 2025
School of Applied Science and Humanities, Haldia Institute of Technology, ICARE Complex, Haldia 721657, India.
This study explores the reactivity of a new intermolecular P/B frustrated Lewis pair in the context of dinitrogen activation through a push-pull mechanism. The ab initio molecular dynamics model known as atom-centered density matrix propagation plays a pivotal role in elucidating the weakly associated encounter complex. In-depth analysis, mainly through intrinsic reaction coordinate calculations, supports a single-step mechanism.
View Article and Find Full Text PDFNature
January 2025
Cell and Developmental Biology Department, John Innes Centre Norwich Research Park, Norwich, UK.
Nutrient acquisition is crucial for sustaining life. Plants develop beneficial intracellular partnerships with arbuscular mycorrhiza (AM) and nitrogen-fixing bacteria to surmount the scarcity of soil nutrients and tap into atmospheric dinitrogen, respectively. Initiation of these root endosymbioses requires symbiont-induced oscillations in nuclear calcium (Ca) concentrations in root cells.
View Article and Find Full Text PDFNat Commun
January 2025
Beijing National Laboratory for Molecular Sciences (BNLMS), Key Laboratory of Bioorganic Chemistry and Molecular Engineering of Ministry of Education, College of Chemistry, Peking University, Beijing, 100871, China.
Direct conversion of dinitrogen (N) into N-containing compounds beyond ammonia under ambient conditions remains a longstanding challenge. Herein, we present a Lewis acid-promoted strategy for diverse nitrogen-element bonds formation from N using chromium dinitrogen complex [Cp*(IPrMe)Cr(N)]K (1). With the help of Lewis acids AlMe and BF, we successfully trap a series of fleeting diazenido intermediates and synthesize value-added compounds containing N-B, N-Ge, and N-P bonds with 3 d metals, offering a method for isolating unstable intermediates.
View Article and Find Full Text PDFWater Res X
May 2025
School of Environmental Science and Engineering, Shandong University, Qingdao, Shandong 266237, China.
Anaerobic ammonia oxidation (anammox) which converts nitrite and ammonium to dinitrogen gas is an energy-efficient nitrogen removal process. One of the bottlenecks for anammox application in wastewater treatment is the stable supply of nitrite for anammox bacteria. Dissimilatory nitrate reduction to ammonium (DNRA) is a process that converts nitrate to nitrite and then to ammonium.
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