Matches in SemOpenAlex for { <https://semopenalex.org/work/W2994499669> ?p ?o ?g. }
Showing items 1 to 87 of
87
with 100 items per page.
- W2994499669 endingPage "60" @default.
- W2994499669 startingPage "54" @default.
- W2994499669 abstract "Ab initio calculations were performed using the Gaussian 03 software package to obtain the optimized structure, interaction energy and infrared spectrum of ionic liquids (ILs) containing a tetraalkylphosphonium cation and an amino acid anion. In order to investigate the effect of the presence of nitrogen in the cation, the tetraalkylphosphonium cation was replaced by a tetraalkylammonium cation, while amino acids were retained as anions in the ionic liquid. The amino acids studied here included glycine, alanine, serine, lysine, and glutamine. Optimized structures of several ILs in the gas phase were determined at the levels of Hartree-Fock (HF/6-31+G(d)) and density functional theory (B3LYP/6-31++G(d,p)). At high-level estimations, MP2/6-31+G(d) and MP2/6-31++G(d,p), the interaction energies between the cations and anions of the ILs were determined. In order to investigate the effect of alkyl-chain length on interaction energy, the alkyl groups were varied from methyl to ethyl and propyl in the tetraalkylphosphonium functional groups. This procedure revealed that there is a considerably stronger interaction between the alkylphosphonium cations and amino acids than between alkylammonium cations and amino acids. Vibrational spectroscopy of ILs shows that a significant -OH vibration peak occurs at 4124 cm^(-1) in serine-containing ILs, and a prominent C=O vending peak occurs at 1626 cm^(-1) in amino acids." @default.
- W2994499669 created "2019-12-13" @default.
- W2994499669 creator A5051461519 @default.
- W2994499669 creator A5073132187 @default.
- W2994499669 date "2010-09-25" @default.
- W2994499669 modified "2023-09-26" @default.
- W2994499669 title "Interaction Energies of Tetraalkylphosphonium Cation-and Amino Acid Anion-Based Ionic Liquids" @default.
- W2994499669 hasPublicationYear "2010" @default.
- W2994499669 type Work @default.
- W2994499669 sameAs 2994499669 @default.
- W2994499669 citedByCount "0" @default.
- W2994499669 crossrefType "journal-article" @default.
- W2994499669 hasAuthorship W2994499669A5051461519 @default.
- W2994499669 hasAuthorship W2994499669A5073132187 @default.
- W2994499669 hasConcept C145148216 @default.
- W2994499669 hasConcept C147597530 @default.
- W2994499669 hasConcept C147789679 @default.
- W2994499669 hasConcept C152365726 @default.
- W2994499669 hasConcept C153642686 @default.
- W2994499669 hasConcept C154881586 @default.
- W2994499669 hasConcept C155647269 @default.
- W2994499669 hasConcept C161790260 @default.
- W2994499669 hasConcept C178790620 @default.
- W2994499669 hasConcept C179104552 @default.
- W2994499669 hasConcept C185592680 @default.
- W2994499669 hasConcept C2182769 @default.
- W2994499669 hasConcept C22499117 @default.
- W2994499669 hasConcept C2777756961 @default.
- W2994499669 hasConcept C2779856020 @default.
- W2994499669 hasConcept C2780263894 @default.
- W2994499669 hasConcept C2781442258 @default.
- W2994499669 hasConcept C32909587 @default.
- W2994499669 hasConcept C515207424 @default.
- W2994499669 hasConcept C55493867 @default.
- W2994499669 hasConcept C8010536 @default.
- W2994499669 hasConceptScore W2994499669C145148216 @default.
- W2994499669 hasConceptScore W2994499669C147597530 @default.
- W2994499669 hasConceptScore W2994499669C147789679 @default.
- W2994499669 hasConceptScore W2994499669C152365726 @default.
- W2994499669 hasConceptScore W2994499669C153642686 @default.
- W2994499669 hasConceptScore W2994499669C154881586 @default.
- W2994499669 hasConceptScore W2994499669C155647269 @default.
- W2994499669 hasConceptScore W2994499669C161790260 @default.
- W2994499669 hasConceptScore W2994499669C178790620 @default.
- W2994499669 hasConceptScore W2994499669C179104552 @default.
- W2994499669 hasConceptScore W2994499669C185592680 @default.
- W2994499669 hasConceptScore W2994499669C2182769 @default.
- W2994499669 hasConceptScore W2994499669C22499117 @default.
- W2994499669 hasConceptScore W2994499669C2777756961 @default.
- W2994499669 hasConceptScore W2994499669C2779856020 @default.
- W2994499669 hasConceptScore W2994499669C2780263894 @default.
- W2994499669 hasConceptScore W2994499669C2781442258 @default.
- W2994499669 hasConceptScore W2994499669C32909587 @default.
- W2994499669 hasConceptScore W2994499669C515207424 @default.
- W2994499669 hasConceptScore W2994499669C55493867 @default.
- W2994499669 hasConceptScore W2994499669C8010536 @default.
- W2994499669 hasIssue "9" @default.
- W2994499669 hasLocation W29944996691 @default.
- W2994499669 hasOpenAccess W2994499669 @default.
- W2994499669 hasPrimaryLocation W29944996691 @default.
- W2994499669 hasRelatedWork W141846402 @default.
- W2994499669 hasRelatedWork W1966964444 @default.
- W2994499669 hasRelatedWork W1978984879 @default.
- W2994499669 hasRelatedWork W1979769822 @default.
- W2994499669 hasRelatedWork W2037742656 @default.
- W2994499669 hasRelatedWork W2050483230 @default.
- W2994499669 hasRelatedWork W2052327443 @default.
- W2994499669 hasRelatedWork W2065249228 @default.
- W2994499669 hasRelatedWork W2086523849 @default.
- W2994499669 hasRelatedWork W2152043605 @default.
- W2994499669 hasRelatedWork W2157549098 @default.
- W2994499669 hasRelatedWork W2516987799 @default.
- W2994499669 hasRelatedWork W2613943828 @default.
- W2994499669 hasRelatedWork W2620047089 @default.
- W2994499669 hasRelatedWork W2912981961 @default.
- W2994499669 hasRelatedWork W2962058279 @default.
- W2994499669 hasRelatedWork W2998263139 @default.
- W2994499669 hasRelatedWork W3021223050 @default.
- W2994499669 hasRelatedWork W3140481502 @default.
- W2994499669 hasRelatedWork W3155440101 @default.
- W2994499669 hasVolume "4" @default.
- W2994499669 isParatext "false" @default.
- W2994499669 isRetracted "false" @default.
- W2994499669 magId "2994499669" @default.
- W2994499669 workType "article" @default.