Matches in SemOpenAlex for { <https://semopenalex.org/work/W4301233977> ?p ?o ?g. }
Showing items 1 to 56 of
56
with 100 items per page.
- W4301233977 abstract "Room-temperature ionic liquids (RTILs) constitute a fine-tunable class of compounds. Morpholinium-based cations are new to the field. They are promising candidates for electrochemistry, micellization and catalytic applications. We investigate halogenation (fluorination and chlorination) of the N-ethyl-N-methylmorpholinium cation from thermodynamics perspective. We find that substitutional fluorination is much more energetically favorable than substitutional chlorination, although the latter is also a permitted process. Although all halogenation at different locations are possible, they are not equally favorable. Furthermore, the trends are not identical in the case of fluorination and chlorination. We link the thermodynamic observables to electron density distribution within the investigated cation. The reported insights are based on the coupled-cluster technique, which is a highly accurate and reliable electron-correlation method. Novel derivatives of the morpholinium-based RTILs are discussed, motivating further efforts in synthetic chemistry." @default.
- W4301233977 created "2022-10-05" @default.
- W4301233977 creator A5049029786 @default.
- W4301233977 creator A5061633372 @default.
- W4301233977 date "2015-05-29" @default.
- W4301233977 modified "2023-09-29" @default.
- W4301233977 title "Are Fluorination and Chlorination of the Morpholinium-Based Ionic Liquids Favorable?" @default.
- W4301233977 doi "https://doi.org/10.48550/arxiv.1505.08032" @default.
- W4301233977 hasPublicationYear "2015" @default.
- W4301233977 type Work @default.
- W4301233977 citedByCount "0" @default.
- W4301233977 crossrefType "posted-content" @default.
- W4301233977 hasAuthorship W4301233977A5049029786 @default.
- W4301233977 hasAuthorship W4301233977A5061633372 @default.
- W4301233977 hasBestOaLocation W43012339771 @default.
- W4301233977 hasConcept C145148216 @default.
- W4301233977 hasConcept C147597530 @default.
- W4301233977 hasConcept C147789679 @default.
- W4301233977 hasConcept C154881586 @default.
- W4301233977 hasConcept C161790260 @default.
- W4301233977 hasConcept C17525397 @default.
- W4301233977 hasConcept C178790620 @default.
- W4301233977 hasConcept C179104552 @default.
- W4301233977 hasConcept C185592680 @default.
- W4301233977 hasConcept C2182769 @default.
- W4301233977 hasConcept C52859227 @default.
- W4301233977 hasConcept C65973085 @default.
- W4301233977 hasConceptScore W4301233977C145148216 @default.
- W4301233977 hasConceptScore W4301233977C147597530 @default.
- W4301233977 hasConceptScore W4301233977C147789679 @default.
- W4301233977 hasConceptScore W4301233977C154881586 @default.
- W4301233977 hasConceptScore W4301233977C161790260 @default.
- W4301233977 hasConceptScore W4301233977C17525397 @default.
- W4301233977 hasConceptScore W4301233977C178790620 @default.
- W4301233977 hasConceptScore W4301233977C179104552 @default.
- W4301233977 hasConceptScore W4301233977C185592680 @default.
- W4301233977 hasConceptScore W4301233977C2182769 @default.
- W4301233977 hasConceptScore W4301233977C52859227 @default.
- W4301233977 hasConceptScore W4301233977C65973085 @default.
- W4301233977 hasLocation W43012339771 @default.
- W4301233977 hasLocation W43012339772 @default.
- W4301233977 hasOpenAccess W4301233977 @default.
- W4301233977 hasPrimaryLocation W43012339771 @default.
- W4301233977 hasRelatedWork W1965567887 @default.
- W4301233977 hasRelatedWork W1990780247 @default.
- W4301233977 hasRelatedWork W2049197606 @default.
- W4301233977 hasRelatedWork W2051324133 @default.
- W4301233977 hasRelatedWork W2127845438 @default.
- W4301233977 hasRelatedWork W2388843720 @default.
- W4301233977 hasRelatedWork W2793433985 @default.
- W4301233977 hasRelatedWork W2882990351 @default.
- W4301233977 hasRelatedWork W2949813538 @default.
- W4301233977 hasRelatedWork W2950904964 @default.
- W4301233977 isParatext "false" @default.
- W4301233977 isRetracted "false" @default.
- W4301233977 workType "article" @default.