{Ca(OH2)3[Ca(DOTA)].7.7H2O}n

Anderson, Oren P.; Reibenspies, Joseph H.

doi:10.1107/s0108270195013916

Cited by 13 publications

(15 citation statements)

References 7 publications

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“…The mean twist angles between the upper and lower planes (20.7 and 24.1° for the Pb 2+ and Ca 2+ complexes, respectively) are close to those expected for a regular twisted square antitiprism (22.5°). An inverted‐antiprismatic coordination environment has also been found for [Ca(dota)] 2– in the solid state 34…”

Section: Resultsmentioning

confidence: 64%

Highly Stable Complexes of Divalent Metal Ions (Mg²⁺, Ca²⁺, Cu²⁺, Zn²⁺, Cd²⁺, and Pb²⁺) with a Dota‐Like Ligand Containing a Picolinate Pendant

et al. 2014

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The stability constants of complexes of the macrocyclic ligand do3a‐pic4– (H4do3a‐pic = 2,2′,2″‐{10‐[(6‐carboxypyridin‐2‐yl)methyl]‐1,4,7,10‐tetraazacyclododecane‐1,4,7‐triyl}triacetic acid) with several divalent metal ions (Pb2+, Cd2+, Zn2+, Cu2+, Ca2+, and Mg2+) have been determined by using pH‐potentiometric titrations (I = 0.1 M KCl, 25 °C). The stability of these complexes follows the trend Cu2+ > Cd2+ ≈ Pb2+ ≈ Zn2+ >> Ca2+ >> Mg2+. A particularly high stability constant has been determined for the Cu2+ complex [log KCuL = 23.20(4)]. Analysis of the titration curves indicate the presence of protonated forms of the complexes in solution, with protonation constants of log KM(HxL) = 6.9–2.0 (x = 1, 2, or 3). The structure of the complexes in solution has been investigated by using 1H and 13C NMR spectroscopy and DFT calculations performed in aqueous solution at the TPSSh/6‐31G(d) level. In the case of the Pb2+ and Cd2+ complexes, relativistic effects were considered with the use of relativistic effective core potentials. Calculations show that the complexes with the largest metal ions (Pb2+ and Ca2+) are nine‐coordinate, with their coordination polyhedra being best described as capped twisted square antiprisms. The Cd2+ and Mg2+ complexes are seven‐coordinate, with the metal ions being bound to the four nitrogen atoms of the cyclen unit and the three acetate pendant arms. Finally, in the Cu2+ and Zn2+ complexes, the metal ions are six‐coordinated, with the metal ions being asymmetrically placed inside the macrocyclic cavity of the ligand, and the coordination polyhedra can be described as an octahedron and a trigonal prism, respectively.

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Section: Resultsmentioning

confidence: 64%

Highly Stable Complexes of Divalent Metal Ions (Mg²⁺, Ca²⁺, Cu²⁺, Zn²⁺, Cd²⁺, and Pb²⁺) with a Dota‐Like Ligand Containing a Picolinate Pendant

et al. 2014

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“…E-mail: pierre.thuery@cea.fr † CCDC reference number 673444. For crystallographic data in CIF or other electronic format see DOI: 10.1039/b800392knitrogen atoms along the sides, as in most other complexes,[5][6][7][8][9] and the four monodentate acetate arms are located on the same side of the ring. The three torsion angles in each C-N-C-C-N-C fragment assume average values of 81(4), 57(2) and À164(1) , similar to those in the complexes in which the four nitrogen atoms are chelating, this probably being due to the presence of two NH/N intramolecular hydrogen bonds (NH/O hydrogen bonds are observed in diprotonated DOTA, 9f and result in preorganization for complexation).…”

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confidence: 99%

The first crystal structure of an actinide complex of the macrocyclic ligand DOTA: a two-dimensional uranyl–organic framework

Thuéry

2008

CrystEngComm

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“…32 In this study, the same parameters were employed for both the probe complexes with Ca 2+ . Judging from the calculated bond lengths of the L1 complex and Ca 2+ -DOTA complex in the literature (the average distance of Ca-N and Ca-O (acetate): 2.290 and 2.545 A for our calculation and 2.592 and 2.453 A for the Ca 2+ -DOTA complex measured by crystal structure), 38,39 the accuracy of our calculations made it possible to estimate the molecular structure. The relationship between the ratio of emission efficiency (f ML /f L ) of the metal-probe complex relative to the free probe, and the distance between the center metal ion and the 5-carbon position of the fluorescein was investigated based on calculations and the fluorescence spectra (Fig.…”

Section: Design Of Probes and Fluorescent Propertiesmentioning

confidence: 63%

Ultrasensitive CE for heavy metal ions using the variations in the chemical structures formed from new octadentate fluorescent probes and cationic polymers

Saito

Nakano

Hikichi

et al. 2011

Analyst

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Novel fluorescent probes have been developed for the ultratrace detection of heavy metal ions by capillary electrophoresis using laser-induced fluorescence detection. Based on a molecular design, the probes are composed of an octadentate chelating moiety, a macrocyclic DOTA (tetraazacyclododecanetetraacetic acid) and an acyclic DTPA (diethylenetriaminepentaacetic acid) frame, a spacer and a fluorophore (fluorescein). These were chosen on the basis of their ability to form kinetically inert and highly emissive complexes, and to prevent a quenching effect even with heavy and paramagnetic metal ions. Addition of a cationic polymer, polybrene, in the separation buffer provided high resolution and simultaneous detection of Ca(2+), Mg(2+), Cu(2+), Zn(2+), Ni(2+), Co(2+), Mn(2+), Cd(2+) and Pb(2+). The direct fluorescence detection of these metal ions with high sensitivity at lower ppt levels, typically 2-7 × 10(-11) M (potentially sub-ppt), was successfully achieved. While separation of anionic compounds using a counter cation ("Ion Association (IA)" mode) is typically controlled by the ion association equilibrium constants, K(ass), it was found that differences in the mobilities, µ(ep(IAC)), of the ion association complexes formed between the probe complexes and counter cations are the driving forces for separation in this new method. This suggests that each of the polybrene-probe complexes has different chemical structures among metal ions, which were able to be determined by CD spectra in this investigation. This novel separation mode was termed the "Ion Association Complex (IAC)" mode, distinct from the IA mode.

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{Ca(OH2)3[Ca(DOTA)].7.7H2O}n

Cited by 13 publications

References 7 publications

Highly Stable Complexes of Divalent Metal Ions (Mg²⁺, Ca²⁺, Cu²⁺, Zn²⁺, Cd²⁺, and Pb²⁺) with a Dota‐Like Ligand Containing a Picolinate Pendant

Highly Stable Complexes of Divalent Metal Ions (Mg²⁺, Ca²⁺, Cu²⁺, Zn²⁺, Cd²⁺, and Pb²⁺) with a Dota‐Like Ligand Containing a Picolinate Pendant

The first crystal structure of an actinide complex of the macrocyclic ligand DOTA: a two-dimensional uranyl–organic framework

Ultrasensitive CE for heavy metal ions using the variations in the chemical structures formed from new octadentate fluorescent probes and cationic polymers

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{Ca(OH2)3[Ca(DOTA)].7.7H2O}n

Cited by 13 publications

References 7 publications

Highly Stable Complexes of Divalent Metal Ions (Mg2+, Ca2+, Cu2+, Zn2+, Cd2+, and Pb2+) with a Dota‐Like Ligand Containing a Picolinate Pendant

Highly Stable Complexes of Divalent Metal Ions (Mg2+, Ca2+, Cu2+, Zn2+, Cd2+, and Pb2+) with a Dota‐Like Ligand Containing a Picolinate Pendant

The first crystal structure of an actinide complex of the macrocyclic ligand DOTA: a two-dimensional uranyl–organic framework

Ultrasensitive CE for heavy metal ions using the variations in the chemical structures formed from new octadentate fluorescent probes and cationic polymers

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Product

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Highly Stable Complexes of Divalent Metal Ions (Mg²⁺, Ca²⁺, Cu²⁺, Zn²⁺, Cd²⁺, and Pb²⁺) with a Dota‐Like Ligand Containing a Picolinate Pendant

Highly Stable Complexes of Divalent Metal Ions (Mg²⁺, Ca²⁺, Cu²⁺, Zn²⁺, Cd²⁺, and Pb²⁺) with a Dota‐Like Ligand Containing a Picolinate Pendant