About: Complexation of thorium with pyridine monocarboxylate-N-oxides: Thermodynamic and computational studies

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About: Complexation of thorium with pyridine monocarboxylate-N-oxides: Thermodynamic and computational studies Goto Sponge NotDistinct Permalink

An Entity of Type : schema:ScholarlyArticle, within Data Space : covidontheweb.inria.fr associated with source document(s)

Attributes	Values
type	Academic Article research paper schema:ScholarlyArticle
isDefinedBy	Covid-on-the-Web dataset
has title	Complexation of thorium with pyridine monocarboxylate-N-oxides: Thermodynamic and computational studies
Creator	Boda, Anil Rawat, Neetika Ali, Sk Dumpala, Rao Mohana, Rama Tomar, B
Source	Elsevier; Medline; PMC
abstract	Abstract The feed wastes and waste water treatment plants are the major sources for the entry of N-oxides into the soils then to aquatic life. The complexation of actinides with potentially stable anthropogenic ligands facilitate the transportation and migration of the actinides from the source confinement. The present study describes the determination of thermodynamic parameters for the complexation of Th(IV) with the three isomeric pyridine monocarboxylates (PCNO) namely picolinic acid-N-oxide (PANO), nicotinic acid-N-oxide (NANO) and isonicotinic acid-N-oxide (IANO). The potentiometric and isothermal calorimetric titrations were carried out to determine the stability and enthalpy of the formations for all the Th(IV)-PCNO complexes. Th-PANO complexes are more stable than Th-NANO and Th-IANO complexes which can be attributed to chelate formation in the former complexes. Formation of all the Th-PCNO complexes are endothermic and are entropy driven. The geometries for all the predicted complexes are optimized the energies, bond distances and charges on individual atoms are obtained using TURBOMOLE software. The theoretical calculation corroborated the experimental determinations.
has issue date	2018-07-31(xsd:dateTime)
bibo:doi	10.1016/j.jct.2018.02.006
bibo:pmid	32226127
has license	els-covid
sha1sum (hex)	064c04b451db7ee813746dde89ad46963d39a8a3
schema:url	https://doi.org/10.1016/j.jct.2018.02.006
resource representing a document's title	Complexation of thorium with pyridine monocarboxylate-N-oxides: Thermodynamic and computational studies
has PubMed Central identifier	PMC7094258
has PubMed identifier	32226127
schema:publication	The Journal of Chemical Thermodynamics
resource representing a document's body	covid:064c04b451db7ee813746dde89ad46963d39a8a3#body_text
is schema:about of	named entity 'actinides' named entity 'Formation' named entity 'attributed' named entity 'nicotinic' named entity 'Thermodynamic' named entity 'PYRIDINE' named entity 'INDIVIDUAL' named entity 'ACTINIDES' named entity 'THERMODYNAMIC' named entity 'PYRIDINE' named entity 'NANO' named entity 'ATOMS' named entity 'CHARGES' named entity 'MAJOR' named entity 'THERMODYNAMIC' named entity 'ENDOTHERMIC' named entity 'CARRIED' named entity 'COMPLEXES' named entity 'FORMATIONS' named entity 'SOFTWARE' named entity 'PANO' named entity 'N-OXIDES' named entity 'ENTHALPY' named entity 'FORMATION' named entity 'SOILS' named entity 'NICOTINIC ACID' named entity 'STABILITY' named entity 'USING' named entity 'TITRATIONS' named entity 'LIFE' named entity 'STUDIES' named entity 'THEORETICAL' named entity 'N-OXIDES' named entity 'AQUATIC' named entity 'MONOCARBOXYLATE' named entity 'COMPUTATIONAL' named entity 'GEOMETRIES' named entity 'DETERMINATION' named entity 'DISTANCES' named entity 'STABLE' named entity 'N-OXIDE' named entity 'PRESENT' named entity 'PREDICTED' named entity 'WASTE WATER TREATMENT' named entity 'THORIUM' named entity 'OBTAINED' named entity 'ENTROPY' named entity 'ISONICOTINIC ACID' named entity 'CALCULATION' named entity 'PLANTS' named entity 'MONOCARBOXYLATES' named entity 'PICOLINIC ACID' named entity 'DRIVEN' named entity 'STUDY' named entity 'FEED' named entity 'TRANSPORTATION' named entity 'SOURCE' named entity 'ENTRY' named entity 'ANTHROPOGENIC' named entity 'BOND' named entity 'SOURCES' named entity 'LIGANDS' named entity 'PARAMETERS' named entity 'MIGRATION' named entity 'ENERGIES' named entity 'EXPERIMENTAL' covid:arg/064c04b451db7ee813746dde89ad46963d39a8a3 named entity 'stability' named entity 'wastes' named entity 'migration' named entity 'complexes' named entity 'distances' named entity 'entropy' named entity 'formation' named entity 'corroborated' named entity 'theoretical calculation'

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