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N-(2,3,5,6-Tetrafluoropyridyl)sulfoximines : synthesis, X-ray crystallography, and halogen bonding
Schumacher, Christian; Fergen, Hannah; Puttreddy, Rakesh; Truong, Khai-Nghi; Rinesch, Torsten; Rissanen, Kari; Bolm, Carsten (Royal Society of Chemistry, 2020)In the presence of KOH, NH-sulfoximines react with pentafluoropyridine to give N-(tetrafluoropyridyl)sulfoximines (NTFP-sulfoximines) in moderate to excellent yields. Either a solution-based or a superior solvent-free ... -
5-Carbonyl-1,3-oxazine-2,4-diones from N-Cyanosulfoximines and Meldrum’s Acid Derivatives
Brosge, Felix; Kochs, Johanne,s Florian; Bregu, Mariela; Truong, Khai-Nghi; Rissanen, Kari; Bolm, Carsten (American Chemical Society (ACS), 2020)At elevated temperatures, N-cyanosulfoximines react with Meldrum’s acid derivatives to give sulfoximines with N-bound 5-carbonyl-1,3-oxazine-2,4-dione groups. A representative product was characterized by single-crystal ... -
Mechanochemical Iron‐Catalyzed Nitrene Transfer Reactions : Direct Synthesis of N‐Acyl Sulfonimidamides from Sulfinamides and Dioxazolones
Pan, Shulei; Mulks, Florian; Wu, Peng; Rissanen, Kari; Bolm, Carsten (Wiley-VCH Verlag, 2024)A mechanochemical synthesis of sulfonimidamides by iron(II)-catalyzed exogenous ligand-free N-acyl nitrene transfer to sulfinamides is reported. The one-step method tolerates a wide range of sulfinamides with various ... -
Microscopic Insights Into the Formation of Methanesulfonic Acid–Methylamine–Ammonia Particles Under Acid-Rich Conditions
Liu, Min; Myllys, Nanna; Han, Yaning; Wang, Zhongteng; Chen, Liang; Liu, Wei; Xu, Jing (Frontiers Media SA, 2022)Understanding the microscopic mechanisms of new particle formation under acid-rich conditions is of significance in atmospheric science. Using quantum chemistry calculations, we investigated the microscopic formation ... -
Computational investigations of 18-electron triatomic sulfur–nitrogen anions
Valjus, Juuso; Tuononen, Heikki; Laitinen, Risto S.; Chivers, Tristram (Canadian Science Publishing, 2018)MRCI-SD/def2-QZVP and PBE0/def2-QZVP calculations have been employed for the analysis of geometries, stabilities, and bonding of isomers of the 18-electron anions N2S2−, NS2−, and NSO−. Isomers of the isoelectronic neutral ...
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