Matches in SemOpenAlex for { <https://semopenalex.org/work/W655636356> ?p ?o ?g. }
- W655636356 endingPage "2458" @default.
- W655636356 startingPage "2454" @default.
- W655636356 abstract "Exploring the basic concepts for the design of CO2-philic molecules is important due to the possibility for “green” chemistry in supercritical CO2 as substitute solvent systems. The Lewis acid-base interactions and C?H…O weak hydrogen bonding were suggested as two key factors for the solubility of CO2-philic molecules. We have performed high level quantum mechanical calculations for the van der Waals complexes of CO2 with trimethylphosphate and trimethylphosphine oxide, which have long been used for metal extractants in supercritical CO2 fluid. Structures and energies were calculated using the MP2/6-31+G(d) and recently developed multilevel methods. These studies indicate that the Lewis acid-base interactions have larger impact on the stability of structure than the C?H…O weak hydrogen bonding. The weak hydrogen bonds in trimethylphosphine oxide have an important role to the large supercritical CO2 solubility when a metal is bound to the oxygen atom of the P=O group. Trimethylphosphate has many Lewis acid-base interaction sites so that it can be dissolved into supercritical CO2 easily even when it has metal ion on the oxygen atom of the P=O group, which is indispensable for a good extractant." @default.
- W655636356 created "2016-06-24" @default.
- W655636356 creator A5033045118 @default.
- W655636356 creator A5063322128 @default.
- W655636356 date "2007-12-20" @default.
- W655636356 modified "2023-10-16" @default.
- W655636356 title "Theoretical Studies for the Supercritical CO<sub>2</sub>Solubility of Organophosphorous Molecules: Lewis Acid-Base Interactions and C-H···O Weak Hydrogen Bonding" @default.
- W655636356 cites W1964277385 @default.
- W655636356 cites W1964760558 @default.
- W655636356 cites W1965451259 @default.
- W655636356 cites W1970191314 @default.
- W655636356 cites W1970415935 @default.
- W655636356 cites W1989582143 @default.
- W655636356 cites W1994595410 @default.
- W655636356 cites W1999361602 @default.
- W655636356 cites W2004339647 @default.
- W655636356 cites W2004453171 @default.
- W655636356 cites W2007068681 @default.
- W655636356 cites W2009846055 @default.
- W655636356 cites W2013628730 @default.
- W655636356 cites W2018266640 @default.
- W655636356 cites W2025024904 @default.
- W655636356 cites W2034707833 @default.
- W655636356 cites W2037573663 @default.
- W655636356 cites W2063572107 @default.
- W655636356 cites W2064791335 @default.
- W655636356 cites W2075367457 @default.
- W655636356 cites W2082536540 @default.
- W655636356 cites W2087056549 @default.
- W655636356 cites W2089801261 @default.
- W655636356 cites W2119619100 @default.
- W655636356 cites W2120215541 @default.
- W655636356 cites W2121496550 @default.
- W655636356 cites W2138472891 @default.
- W655636356 cites W2148941593 @default.
- W655636356 cites W2327855492 @default.
- W655636356 cites W3004991375 @default.
- W655636356 doi "https://doi.org/10.5012/bkcs.2007.28.12.2454" @default.
- W655636356 hasPublicationYear "2007" @default.
- W655636356 type Work @default.
- W655636356 sameAs 655636356 @default.
- W655636356 citedByCount "10" @default.
- W655636356 countsByYear W6556363562012 @default.
- W655636356 countsByYear W6556363562015 @default.
- W655636356 countsByYear W6556363562016 @default.
- W655636356 countsByYear W6556363562017 @default.
- W655636356 countsByYear W6556363562021 @default.
- W655636356 crossrefType "journal-article" @default.
- W655636356 hasAuthorship W655636356A5033045118 @default.
- W655636356 hasAuthorship W655636356A5063322128 @default.
- W655636356 hasBestOaLocation W6556363561 @default.
- W655636356 hasConcept C112887158 @default.
- W655636356 hasConcept C118419359 @default.
- W655636356 hasConcept C126061179 @default.
- W655636356 hasConcept C147597530 @default.
- W655636356 hasConcept C147789679 @default.
- W655636356 hasConcept C155574463 @default.
- W655636356 hasConcept C161790260 @default.
- W655636356 hasConcept C163638829 @default.
- W655636356 hasConcept C178790620 @default.
- W655636356 hasConcept C179104552 @default.
- W655636356 hasConcept C185592680 @default.
- W655636356 hasConcept C2780471494 @default.
- W655636356 hasConcept C32909587 @default.
- W655636356 hasConcept C512968161 @default.
- W655636356 hasConcept C544153396 @default.
- W655636356 hasConcept C63385615 @default.
- W655636356 hasConceptScore W655636356C112887158 @default.
- W655636356 hasConceptScore W655636356C118419359 @default.
- W655636356 hasConceptScore W655636356C126061179 @default.
- W655636356 hasConceptScore W655636356C147597530 @default.
- W655636356 hasConceptScore W655636356C147789679 @default.
- W655636356 hasConceptScore W655636356C155574463 @default.
- W655636356 hasConceptScore W655636356C161790260 @default.
- W655636356 hasConceptScore W655636356C163638829 @default.
- W655636356 hasConceptScore W655636356C178790620 @default.
- W655636356 hasConceptScore W655636356C179104552 @default.
- W655636356 hasConceptScore W655636356C185592680 @default.
- W655636356 hasConceptScore W655636356C2780471494 @default.
- W655636356 hasConceptScore W655636356C32909587 @default.
- W655636356 hasConceptScore W655636356C512968161 @default.
- W655636356 hasConceptScore W655636356C544153396 @default.
- W655636356 hasConceptScore W655636356C63385615 @default.
- W655636356 hasIssue "12" @default.
- W655636356 hasLocation W6556363561 @default.
- W655636356 hasOpenAccess W655636356 @default.
- W655636356 hasPrimaryLocation W6556363561 @default.
- W655636356 hasRelatedWork W2003138696 @default.
- W655636356 hasRelatedWork W2003917567 @default.
- W655636356 hasRelatedWork W2007938997 @default.
- W655636356 hasRelatedWork W2019495378 @default.
- W655636356 hasRelatedWork W2047080117 @default.
- W655636356 hasRelatedWork W2063441704 @default.
- W655636356 hasRelatedWork W2462013376 @default.
- W655636356 hasRelatedWork W2984998876 @default.
- W655636356 hasRelatedWork W2994666977 @default.
- W655636356 hasRelatedWork W4211024016 @default.
- W655636356 hasVolume "28" @default.