Pyridyl based mono and di-selenoethers: Synthesis, characterization and DFT study

Mixed RuIIComplexes Containing Diseleno‐Ligand and α,β‐Diketones Donors with Anticancer Activity. Synthesis, Characterization, Electrochemical and DFT Studies

“…For instance, the signal of the pyridyl C=N symmetrical stretching (ν s ), in the selenium ligand, is reported at 1567 cm À 1 . [33] For 1, the same vibration shifts to 1561 cm À 1 and for the mixed complexes, it is founded in the range of 1515-1548 cm À 1 . The high intensity CÀ P signals overlaps with the low intensity CÀ Se bond bands, that makes difficult the analysis and its unambiguous assignment, both appears in the range of 500 to 600 cm À 1 .…”

“…Left: 1,9-bis(2-pyridyl)-3,7-diselenononane was synthesized according to previous reports. [33] Right (from top to bottom): α,β-diketones: acetylacetonate, trifluroacetylacetonate, and hexafluoroacetylacetonate were obtained from deprotonation of available commercial form. according to literature reports.…”

“…The high intensity CÀ P signals overlaps with the low intensity CÀ Se bond bands, that makes difficult the analysis and its unambiguous assignment, both appears in the range of 500 to 600 cm À 1 . [33] For the OÀ O moiety, the symmetric C=O vibration appears in 1573, 1608 y 1610 cm À 1 for the acac, tfac and hfac derivatives respectively, they are displaced between 20-40 cm À 1 respect to uncoordinated α,β-diketones. [55] The complexes, excluding [Ru(PPh 3 ) 3 Cl 2 ], have a 1 : 1 electrolytic ratio behavior suggested for the conductivity values, in 1 mmol/L in MeCN solutions, that are in the range of 85-125 μS.…”

“…[31,32] Our research group has recently reported the synthesis and structural characterization of selenium analogs of pdto. [33] Selenium compounds present a significative increment in the catalytic activity and a promising anticancer performance compared to their sulfur analogs. [34] At relative high concentrations, selenium compounds can turn into potent pro-oxidant systems and thus, enhance their anticancer activity.…”

C36and C35E (E=N and B) Fullerenes as Potential Nanovehicles for Neuroprotective Drugs: A Comparative DFT Study

“…These maps are interesting to perceive, as it is possible to qualitatively evaluate chemical reactivity by observing regions of color. [60,[91][92][93] Blue and red/yellow regions correspond to poor and rich electron density areas, respectively. Nucleophilic and electrophilic attacks can be estimated by analyzing these kinds of maps.…”