Linear and nonlinear optical properties of pyridine N-oxide molecule

Soscún, Humberto; Castellano, Olga; Bermúdez, Yaneth; Toro-Mendoza, Carlos; Marcano, Arı́stides; Alvarado, Ysaías J.

doi:10.1016/s0166-1280(02)00222-1

Cited by 34 publications

(19 citation statements)

References 36 publications

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“…To investigate the effect of the polarity of kerogen moieties on the extraction of the kerogen moieties with supercritical CO 2 , the dipole moments of the four molecules were calculated by the first-principle simulation; the details of the simulation have been reported in our previous work [50][51][52]. The dipole moments of [53,54]. According to the dipole moments of the four molecules, the order of the polarity of the molecules is pyridine > quinaldine > heptylamine > dodecane.…”

Section: The Effect Of the Polarity Of Kerogen Moieties On Extractionmentioning

confidence: 99%

Extraction of kerogen from oil shale with supercritical carbon dioxide: Molecular dynamics simulations

Xue

et al. 2016

The Journal of Supercritical Fluids

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Section: The Effect Of the Polarity Of Kerogen Moieties On Extractionmentioning

confidence: 99%

Extraction of kerogen from oil shale with supercritical carbon dioxide: Molecular dynamics simulations

Xue

et al. 2016

The Journal of Supercritical Fluids

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“…Many heteroaromatic N-oxides are identified as potential anticancer and antimalarial drugs or reductors of bacterial deposition [5][6][7] and as antitumor agents [8]. The substituted pyridine N-oxides form an interesting group of compounds that find use as radiosensitizers in radiation therapy, catalysts [11][12][13][14][15][16][17][18]. The substituted pyridine N-oxides form an interesting group of compounds that find use as radiosensitizers in radiation therapy, catalysts [11][12][13][14][15][16][17][18].…”

Section: Introductionmentioning

confidence: 99%

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

Dumpala

Rawat

Boda

et al. 2018

The Journal of Chemical Thermodynamics

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a b s t r a c tThe 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.

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“…Recently, it was found that they can also be a potentially useful in nonlinear optical devices [10,11]. Copper(II) complexes with these ligands exhibited also a significant anti-proliferative activity against various human cancer lines [12,13].…”

Section: Introductionmentioning

confidence: 99%

Electronic spectra and crystal structure of dinuclear Cu(II) ‘paddle wheel’ acetate complex containing axially coordinated 3-methyl-4-nitropyridine-N-oxide

et al. 2009

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This article presents the electronic spectral characteristics enhanced with the structural, IR and magnetic data of the copper(II) acetate complex with 3-methyl-4-nitropyridine-N-oxide. The complex of the formula, [Cu 2 (OAc) 4 (3-mnpn) 2 ], belongs to the group of the 'paddle wheel' type species with a very short (2.58 Å ) metalmetal distance. In the electronic spectra, new bands were found at 16,000 and 24,000 cm -1 , which have been tentatively assigned to the metal-metal interactions and solid state effects, respectively. The complex show fast kinetic exchange of the apical ligand, i.e. 3-methyl-4-nitropyridine-N-oxide.

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Linear and nonlinear optical properties of pyridine N-oxide molecule

Cited by 34 publications

References 36 publications

Extraction of kerogen from oil shale with supercritical carbon dioxide: Molecular dynamics simulations

Extraction of kerogen from oil shale with supercritical carbon dioxide: Molecular dynamics simulations

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

Electronic spectra and crystal structure of dinuclear Cu(II) ‘paddle wheel’ acetate complex containing axially coordinated 3-methyl-4-nitropyridine-N-oxide

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