Conformational energies of microsolvated Na+ clusters with protic and aprotic solvents from GFNn‐xTB methods
Sign Up to like & getrecommendations! Published in 2022 at "Journal of Computational Chemistry"
DOI: 10.1002/jcc.26988
Abstract: Performance of contemporary tight‐binding semiempirical GFNn‐xTB methods for the conformational energies of singly charged sodium clusters Na+(S)n (n = 4–8) with 3 protic and 8 aprotic solvents is examined against the reference RI‐MP2/CBS method. The median… read more here.
Keywords: clusters protic; xtb methods; gfnn xtb; conformational energies ... See more keywords
Specific features of the interaction of the surface of mechanically renewable aluminum electrode with molecules of aprotic solvents
Sign Up to like & getrecommendations! Published in 2019 at "Journal of Electroanalytical Chemistry"
DOI: 10.1016/j.jelechem.2019.113456
Abstract: Abstract The behavior of mechanically renewable aluminum electrode is studied in solutions of tetraethylammonium and lithium salts with surface-inactive anions (ClO4−) in propylene carbonate. The potential region in which Al electrode can be considered as… read more here.
Keywords: mechanically renewable; aluminum electrode; renewable aluminum; electrode ... See more keywords
A chromo-fluorogenic probe for detecting water traces in aprotic solvents based on C2-symmetry dianthrimide-hydroxide complexes: experimental and theoretical studies.
Sign Up to like & getrecommendations! Published in 2020 at "Dalton transactions"
DOI: 10.1039/d0dt03630g
Abstract: A C2-symmetry dianthrimide based probe (D) and its hydroxide complex (D-OH) are reported as a chromo-fluorogenic sensor for rapid and sensitive detection of trace amounts of water in polar aprotic solvents. Based on intramolecular charge… read more here.
Keywords: symmetry dianthrimide; probe; water; hydroxide ... See more keywords