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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 487 records · Page 27
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Synthesis of Ln II ‐in‐Cryptand Complexes by Chemical Reduction of Ln III ‐in‐Cryptand Precursors: Isolation of a Nd II ‐in‐Cryptand Complex

Abstract Lanthanide triflates have been used to incorporate Nd III and Sm III ions into the 2.2.2‐cryptand ligand (crypt) to explore their reductive chemistry. The Ln(OTf) 3 complexes (Ln=Nd, Sm; OTf=SO 3 CF 3 ) react with crypt in THF to form the THF‐soluble complexes [Ln III (crypt)(OTf) 2 ][OTf] with two triflates bound to the metal encapsulated in the crypt. Reduction of these Ln III ‐in‐crypt complexes using KC 8 in THF forms the neutral Ln II ‐in‐crypt triflate complexes [Ln II (crypt)(OTf) 2 ]. DFT calculations on [Nd II (crypt)] 2+ ], the first Nd II cryptand complex, assign a 4f 4 electron configuration to this ion.

Huh, Daniel N.↗
DOE OSTI2020

Protonation of CH 3 N 3 and CF 3 N 3 in Superacids: Isolation and Structural Characterization of Long‐Lived Methyl‐ and Trifluoromethylamino Diazonium Ions

Abstract The methylamino diazonium cations [CH 3 N(H)N 2 ] + and [CF 3 N(H)N 2 ] + were prepared as their low‐temperature stable [AsF 6 ] − salts by protonation of azidomethane and azidotrifluoromethane in superacidic systems. They were characterized by NMR and Raman spectroscopy. Unequivocal proof of the protonation site was obtained by the crystal structures of both salts, confirming the formation of alkylamino diazonium ions. The Lewis adducts CH 3 N 3 ⋅AsF 5 and CF 3 N 3 ⋅AsF 5 were also prepared and characterized by low‐temperature NMR and Raman spectroscopy, and also by X‐ray structure determination for CH 3 N 3 ⋅AsF 5 . Electronic structure calculations were performed to provide additional insights. Attempted electrophilic amination of aromatics such as benzene and toluene with methyl‐ and trifluoromethylamino diazonium ions were unsuccessful.

Saal, Thomas↗
DOE OSTI2021

Isolation of a Cyclopentasilane from Magnesium Reduction of a Linear Hexasilane

The reductive cyclization of two linear hexasilanes is contrasted, where a methylated precursor yielded a cyclohexasilane while the tert-butyl-functionalized analog unexpectedly yielded a cyclopentasilane. A comprehensive analysis using X-ray diffraction, IR, HR, HRMS, and multinuclear (1H, 13C and 29Si) 1D and 2D NMR spectroscopy identified the 1,2-dihydrodisilane tBuPhHSi–SiHPhtBu as an additional product, which was interpreted as supportive of a mechanism involving silylene elimination. Here, the results of this study may prove informative about substituent effects in the practice of complex organosilicon molecular synthesis.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Sequence Analysis of 20,453 Severe Acute Respiratory Syndrome Coronavirus 2 Genomes from the Houston Metropolitan Area Identifies the Emergence and Widespread Distribution of Multiple Isolates of All Major Variants of Concern

Since the beginning of the severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) pandemic, there has been international concern about the emergence of virus variants with mutations that increase transmissibility, enhance escape from the human immune response, or otherwise alter biologically important phenotypes. In late 2020, several variants of concern emerged globally, including the UK variant (B.1.1.7), the South Africa variant (B.1.351), Brazil variants (P.1 and P.2), and two related California variants of interest (B.1.429 and B.1.427). These variants are believed to have enhanced transmissibility. For the South Africa and Brazil variants, there is evidence that mutations in spike protein permit it to escape from some vaccines and therapeutic monoclonal antibodies. On the basis of our extensive genome sequencing program involving 20,453 coronavirus disease 2019 patient samples collected from March 2020 to February 2021, we report identification of all six of these SARS-CoV-2 variants among Houston Methodist Hospital (Houston, TX) patients residing in the greater metropolitan area. Although these variants are currently at relatively low frequency (aggregate of 1.1%) in the population, they are geographically widespread. Houston is the first city in the United States in which active circulation of all six current variants of concern has been documented by genome sequencing. Finally, as vaccine deployment accelerates, increased genomic surveillance of SARS-CoV-2 is essential to understanding the presence, frequency, and medical impact of consequential variants and their patterns and trajectory of dissemination.

60 APPLIED LIFE SCIENCES↗