Search results for "Octane"

showing 10 items of 211 documents

Perfluoroalkyl substance contamination of the Llobregat River ecosystem (Mediterranean area, NE Spain).

2014

The occurrence and sources of 21 perfluoroalkyl substances (PFASs: C4-C14, C16, C18 carboxylate, C4, C6-C8 and C10 sulfonates and C8 sulfonamide) were determined in water, sediment, and biota of the Llobregat River basin (NE Spain). Analytes were extracted by solid phase extraction (SPE) and determined by liquid chromatography triple quadrupole mass spectrometer (LC-QqQ-MS). All samples were contaminated with at least one PFAS, being the most frequently found perfluorobutanoate (PFBA), perfluorooctanoate (PFOA) and perfluorooctane sulfonate (L-PFOS). In general, mean PFAS concentrations measured in sediments (0.01-3.67 ng g(-1)) and biota (0.79-431 μg kg(-1)) samples were higher than those …

PollutionGeologic SedimentsEnvironmental Engineeringmedia_common.quotation_subjectDrainage basinchemistry.chemical_compoundRiversEnvironmental ChemistryAnimalsWaste Management and DisposalEcosystemmedia_commongeographyFluorocarbonsgeography.geographical_feature_categorySolid Phase ExtractionFishesSedimentBiotaContaminationPollutionHazard quotientPerfluorooctanechemistryAlkanesulfonic AcidsDaphniaSpainEnvironmental chemistryBioaccumulationEnvironmental scienceCaprylatesWater Pollutants ChemicalEnvironmental MonitoringThe Science of the total environment
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Toward the Physical Interpretation of Inductive and Resonance Substituent Effects and Reexamination Based on Quantum Chemical Modeling

2017

An application of a charge of the substituent active region concept to 1-Y,4-X-disubstituted derivatives of bicyclo[2.2.2]octane (BCO) [where Y = NO2, COOH, OH, and NH2 and X = NMe2, NH2, OH, OMe, Me, H, F, Cl, CF3, CN, CHO, COMe, CONH2, COOH, NO2, and NO] provides a quantitative information on the inductive component of the substituent effect (SE). It is shown that the effect is highly additive but dependent on the kind of substituents. An application of the SE stabilization energy characteristics to 1,4-disubstituted derivatives of BCO and benzene allows the definition of inductive and resonance contributions to the overall SE. Good agreements with empirical approaches are found. All calc…

Quantum chemicalBicyclic molecule010405 organic chemistryStereochemistryGeneral Chemical EngineeringSubstituentCharge (physics)General Chemistry010402 general chemistryResonance (chemistry)01 natural sciencesArticle0104 chemical sciencesInterpretation (model theory)lcsh:Chemistrychemistry.chemical_compoundlcsh:QD1-999chemistryPhysical chemistryBenzeneOctaneACS Omega
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CCDC 176984: Experimental Crystal Structure Determination

2002

Related Article: C.Jubert, A.Mohamadou, C.Gerard, S.Brandes, A.Tabard, J.-P.Barbier|2002|J.Chem.Soc.,Dalton Trans.||2660|doi:10.1039/b111614b

Space GroupCrystallography(18-bis(Picolinamido)-36-diazaoctane)-cobalt(ii) perchlorate chloride hydrateCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 133885: Experimental Crystal Structure Determination

2000

Related Article: S.Lochynski, B.Frackowiak, A.Siemieniuk, K.Piatkowski, Z.Ciunik, C.Wawrzenczyk|1999|Tetrahedron:Asymm.|10|1033|doi:10.1016/S0957-4166(99)00056-7

Space GroupCrystallography(1S2S3R5R2'R)-(+)-266-Trimethyl-3-hydroxy-3-(2-hydroxyprop-1-yl)-7-oxabicyclo(3.2.1)octaneCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 1023707: Experimental Crystal Structure Determination

2014

Related Article: Anssi Peuronen, Heikki Rinta, Manu Lahtinen|2015|CrystEngComm|17|1736|doi:10.1039/C4CE01866D

Space GroupCrystallography11'-hexane-16-diylbis(4-aza-1-azoniabicyclo[2.2.2]octane) tetraiodideCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 1023705: Experimental Crystal Structure Determination

2014

Related Article: Anssi Peuronen, Heikki Rinta, Manu Lahtinen|2015|CrystEngComm|17|1736|doi:10.1039/C4CE01866D

Space GroupCrystallography11'-hexane-16-diylbis(4-diiodaniumyl-14-diazoniabicyclo[2.2.2]octane) bis(pentaiodide) tris(diiodo)Crystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 1023710: Experimental Crystal Structure Determination

2014

Related Article: Anssi Peuronen, Heikki Rinta, Manu Lahtinen|2015|CrystEngComm|17|1736|doi:10.1039/C4CE01866D

Space GroupCrystallography11'-octane-18-diylbis(4-diiodaniumyl-14-diazoniabicyclo[2.2.2]octane) octaiodideCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 1835271: Experimental Crystal Structure Determination

2021

Related Article: Mamadou Ndiaye, Mouhamadou Birame Diop, Abdoulaye Samb, Libasse Diop, Allen G. Oliver, Laurent Plasseraud|2020|Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie|75|815 |doi:10.1515/znb-2020-0097

Space GroupCrystallography14-diazabicyclo[2.2.2]octane-14-di-ium bromide hydrogen oxalateCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 817435: Experimental Crystal Structure Determination

2011

Related Article: M.Giese, M.Albrecht, C.Bannwarth, G.Raabe, A.Valkonen, K.Rissanen|2011|Chem.Commun.|47|8542|doi:10.1039/c1cc12667a

Space GroupCrystallography1-(345-Trifluorobenzyl)-4-aza-1-azoniabicyclo[2.2.2]octane bromide hemihydrateCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 1005267: Experimental Crystal Structure Determination

2014

Related Article: Michael Giese, Markus Albrecht, Arto Valkonen, Kari Rissanen|2015|Chemical Science|6|354|doi:10.1039/C4SC02762K

Space GroupCrystallography1-(345-Trifluorobenzyl)-4-aza-1-azoniabicyclo[2.2.2]octane chloride hemihydrateCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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