1,2,4-Triazine-picolinamide functionalized, nonadentate chelates for the segregation of lanthanides(<scp>iii</scp>) and actinides(<scp>iii</scp>) in biphasic systems

Guillet, Gary L.; Hyatt, I. F. Dempsey; Hillesheim, Patrick C.; Abboud, Khalil A.; Scott, Michael J.

doi:10.1039/c2nj40586e

Cited by 28 publications

(15 citation statements)

References 60 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…In contrast, the computations of the five An complexes converged to slightly asymmetric structures (the Cm complex being closest to D 3 symmetry), while keeping the main structural motifs, as above. Therefore, the structural characteristics of the presently studied [M(BTP ) 3 ] 3+ complex cations are in good agreement with data on metal complexes with BTP in the literature [27,30], BTP derivatives [12,31,32], and with other ligands possessing structural motifs related to BTP, in terms of symmetry and coordination behavior [3,[33][34][35][36][37][38][39][40][41][42][43][44].…”

Section: Resultssupporting

confidence: 88%

Comparative Study of Complexes of Rare Earths and Actinides with 2,6-Bis(1,2,4-triazin-3-yl)pyridine

Kovács¹,

Apostolidis²,

Walter³

2019

Inorganics

View full text Add to dashboard Cite

Complexes of group III metals (rare earth and actinides) with 2,6-bis(5,6-dipropyl-1,2,4-triazin-3-yl)pyridine (BTP) have been investigated by computational (DFT) and, in limited cases, by experimental (FT-IR, X-ray) techniques with the goal of determining the characteristics of metal–ligand interactions. The DFT calculations using the M062X exchange-correlation functional revealed that metal–ligand distances correlate with the ionic radii of the metals, in agreement with available X-ray diffraction results on the Sc, Y, La, U, and Pu complexes. A related blue-shift trend could be observed in seven characteristic bands in the IR spectra associated with metal–ligand vibrations. The computations uncovered considerable charge transfer interactions, particularly in the actinide complexes, as important covalent contributions to the metal–ligand bonding. The covalent character of the metal–ligand bonds decreases in the actinides, from U to Cm.

show abstract

Section: Resultssupporting

confidence: 88%

Comparative Study of Complexes of Rare Earths and Actinides with 2,6-Bis(1,2,4-triazin-3-yl)pyridine

Kovács¹,

Apostolidis²,

Walter³

2019

Inorganics

View full text Add to dashboard Cite

show abstract

“…complex cations are in good agreement with literature reports on BTP [28], BTP derivative complexes [7,29,30] or complexes with comparable structural motifs arising from ligands which are related to BTP in terms of symmetry and coordination behaviour [5,[31][32][33][34][35][36][37][38][39][40][41][42]. Selected geometrical parameters from our (La, Pr, Nd, Eu) and literature (Sm, Tm, Yb) [28] X-ray studies and from our computations are compared in Table 2.…”

Section: Resultssupporting

confidence: 74%

‘Lanthanide contraction’ in [Ln(BTP)3](CF3SO3)3 complexes

et al. 2015

View full text Add to dashboard Cite

The FTIR spectra of the complexes of lanthanides (Ln = La -Lu, except for the radioactive Pm) with 2,6-bis(5,6-dipropyl-1,2,4-triazin-3-yl)pyridine have been measured in both the mid-and far-IR ranges. The spectra revealed some characteristic bands shifting towards higher wavenumbers with increasing lanthanide atomic number. X-ray diffraction results on several (La, Pr, Nd, Sm, Eu, Tm and Yb) complexes revealed decreasing Lnligand distances in the same direction. DFT calculations using the M062X exchange-correlation functional have been performed on selected model complexes in order to uncover the 'lanthanide contraction' phenomenon and to assist the interpretation of the FTIR spectra. The stronger bonding due to 'lanthanide contraction' is supported by the computed charge transfer interactions. The vibrational study confirmed that the blueshifting bands can be attributed to significant Ln-ligand vibrations.

show abstract

“…Heterocyclic compounds containing soft donor atoms are capable of separating two groups of elements. For example, it has been reported that ligands containing aromatic N atoms as donor atoms coordinate An(III) more strongly than Ln(III), due to a greater covalent character of the An(III)-N bond [1][2][3]. As a continuation of our structural study on 6,6′-bis(substituted)-5,5′-bi-1,2,4-triazines as potential Nheterocyclic ligands for the extraction of nuclear waste [4], we describe in this paper the crystal structure of 3,3′-di(furan-2-yl)-5,5′-bi-1,2,4-triazine.…”

Section: Discussionmentioning

confidence: 99%

Crystal structure of 3,3′-di(furan-2-yl)-5,5′-bi-1,2,4-triazine

Karczmarzyk

Branowska

Wysocki

et al. 2016

Zeitschrift Für Kristallographie - New Crystal Structures

View full text Add to dashboard Cite

Tables 1 and 2 contain details of the measurement method and a list of the atoms including atomic coordinates and displacement parameters. Source of materialThe title compound was prepared by the following method: to the round bottom ask were added 3,3′-dichloro-5,5′-bi-1,2,4-triazine (0.46 g, 2 mmol) in anhydrous dioxane 15 mL and 2-tri(n-butylstannyl)furan (2.52 mL, 8.0 mmol) and Pd(PPh 3 )4 (0.23 g, 10 mol%). The reaction mixture was re uxed for 24 h.

show abstract

1,2,4-Triazine-picolinamide functionalized, nonadentate chelates for the segregation of lanthanides(iii) and actinides(iii) in biphasic systems

Cited by 28 publications

References 60 publications

Comparative Study of Complexes of Rare Earths and Actinides with 2,6-Bis(1,2,4-triazin-3-yl)pyridine

Comparative Study of Complexes of Rare Earths and Actinides with 2,6-Bis(1,2,4-triazin-3-yl)pyridine

‘Lanthanide contraction’ in [Ln(BTP)3](CF3SO3)3 complexes

Crystal structure of 3,3′-di(furan-2-yl)-5,5′-bi-1,2,4-triazine

Contact Info

Product

Resources

About