Crystal structures of [Cu2(2,2′-bipyridine-N,N′)2(H2O)2(μ2-OH)2](barbiturate)2·2H2O and [Cu(2,2′-bipyridine-N,N′)(H2O)(barbiturate-O)Cl]·2H2O

Головнев, Н. Н.; Мolokeev, Maxim S.; Sterkhova, Irina V.; Lesnikov, Maxim K.

doi:10.1016/j.inoche.2018.09.011

Cited by 6 publications

(2 citation statements)

References 33 publications

(26 reference statements)

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“…Hydrogen bonding plays an important role in these structures. BA − is coordinated as a ligand to a transition or group 12 metal in only eight known crystal structures, some of which have been determined more than once [28][29][30][31][32][33][34][35][36]; there are no reported cases of coordination of BA − to lanthanide, actinide, or p-block metals. Coordination is through oxygen in each case except for one copper complex, in which it is through nitrogen [29].…”

Section: Introductionmentioning

confidence: 99%

The Sensitivity of Structure to Ionic Radius and Reaction Stoichiometry: A Crystallographic Study of Metal Coordination and Hydrogen Bonding in Barbiturate Complexes of All Five Alkali Metals Li–Cs

Clegg,

Nichol

2024

Molecules

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A systematic study has been conducted on barbiturate complexes of all five alkali metals, Li–Cs, prepared from metal carbonates or hydroxides in an aqueous solution without other potential ligands present, varying the stoichiometric ratio of metal ion to barbituric acid (BAH). Eight polymeric coordination compounds (two each for Na, K, and Rb and one each for Li and Cs) have been characterised by single-crystal X-ray diffraction. All contain some combination of barbiturate anion BA− (necessarily in a 1:1 ratio with the metal cation M+), barbituric acid, and water. All organic species and water molecules are coordinated to the metal centres via oxygen atoms as either terminal or bridging ligands. Coordination numbers range from 4 (for the Li complex) to 8 (for the Cs complex). Extensive hydrogen bonding plays a significant role in all the crystal structures, almost all of which include pairs of N–H···O hydrogen bonds linking BA− and/or BAH components into ribbons extending in one dimension. Factors influencing the structure adopted by each compound include cation size and reaction stoichiometry as well as hydrogen bonding.

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Section: Introductionmentioning

confidence: 99%

The Sensitivity of Structure to Ionic Radius and Reaction Stoichiometry: A Crystallographic Study of Metal Coordination and Hydrogen Bonding in Barbiturate Complexes of All Five Alkali Metals Li–Cs

Clegg,

Nichol

2024

Molecules

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“…24 They are widely used in crystal engineering as tectons because of the reliability of the hydrogen bonding patterns that they define. 25,26 Thiourea forms noncentrosymmetric complexes when combined with inorganic salts resulting in enhanced NLO activity. 27−31 The photoluminescence (PL) spectra showed that emission is in the blue region for some synthesized crystals of the thiourea metal complexes with a little Stokes shift.…”

Section: ■ Introductionmentioning

confidence: 99%

Luminescent Zero-Dimensional Hybrid Lead Thiohalide Nanostructures for High Quantum Yield and Broadband Excitation

Головнев

Aleksandrovsky

Gerasimova

et al. 2021

ACS Appl. Nano Mater.

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Luminescent trans-[Pb(DMTU-S) 4 Cl 2 ] (DMTU: N,N′-dimethylthiourea) was designed and prepared via either mechanochemical or solvothermal methods, and the structures of DMTU and trans-[Pb(DMTU-S) 4 Cl 2 ] have been resolved using Xray single-crystal diffraction. Upon excitation over broadband covering the range from 450 to 250 nm, trans-[Pb(DMTU-S) 4 Cl 2 ] shows yellow-green emission peaking at 549 nm with a spectral width of 110 nm, which is assigned to the triplet−singlet transition of Pb 2+ ions within distorted heterogeneous S 4 Cl 2 octahedra. The broadband excitation comprised singlet−singlet transitions of Pb 2+ ions and energy transfer from orbitals involving those of organic ligands. Simultaneous analysis of the luminescent bandwidth and Stokes shift gives for Pb 2+ ions in S 4 Cl 2 octahedra the value of the Huang−Rhys parameter S = 4.25 and the energy of phonon involved in the formation of the luminescence spectrum of the order of 90 meV. Quantum yield as high as 91% is detected for excitation at 365 nm. This high quantum yield indicates the absence of noticeable concentration quenching at an average distance of 9.4 Å between the Pb 2+ ions within the structure of trans-[Pb(DMTU) 4 Cl 2 ]. The weak spin−orbit intersystem crossing is deduced from a high photoluminescence quantum yield (PLQY) value. Time dependent-density functional theory (TD-DFT) calculations of the nanocluster indicate the red shift of absorption bands in Pb(DMTU) 4 Cl 2 with respect to parent DMTU. The high-performance photoluminescence and stability demonstrated promising applications in photonics.

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Two new Cu(II) and Ni(II) 1,10-phenanthroline complexes with anions of barbituric acids in the outer sphere: Synthesis, structure, spectroscopic, magnetic and thermal properties

Головнев

Мolokeev

Sterkhova

et al. 2020

Journal of Molecular Structure

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Two new complexes [Cu(Phen) 2 (H 2 O)](Hba) 2 •3H 2 O (1) and [Ni(Phen) 3 ](Htba) 2 ]•Phen•2H 2 O (2) (Phen ¼ 1,10-phenanthroline, Hba À ¼ barbiturate ion, Htba À ¼ thiobarbiturate ion) have been synthesized and characterized by elemental analysis, single-crystal and powder XRD, magnetic measurements, TG-DSC, FT-IR, and Vis absorption spectra. Complex 1 shows a distorted square pyramidal geometry around the copper (II) metal center. The coordination around the Ni atom is a distorted octahedron NiN 6 . The 3D and 2D supramolecular structures of 1 and 2 are formed respectively by intermolecular H-bonds. Two NeH/O hydrogen bonds in 1, and NeH/O, NeH/S hydrogen bonds in 2 form infinite chains. As a result of pep interactions, similar 4-membered zigzag chains in structures 1 and 2 respectively are formed.

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Crystal structures of [Cu2(2,2′-bipyridine-N,N′)2(H2O)2(μ2-OH)2](barbiturate)2·2H2O and [Cu(2,2′-bipyridine-N,N′)(H2O)(barbiturate-O)Cl]·2H2O

Abstract: Crystal structures of [Cu 2 (2,2'-bipyridine−N,N') 2 (H 2 O) 2 (μ 2-OH) 2 ](barbiturate) 2 •2H 2 O and [Cu(2,2'-bipyridine−N,N')(H 2 O)(barbiturate−O)Cl]•2H 2 O

Cited by 6 publications

References 33 publications

The Sensitivity of Structure to Ionic Radius and Reaction Stoichiometry: A Crystallographic Study of Metal Coordination and Hydrogen Bonding in Barbiturate Complexes of All Five Alkali Metals Li–Cs

The Sensitivity of Structure to Ionic Radius and Reaction Stoichiometry: A Crystallographic Study of Metal Coordination and Hydrogen Bonding in Barbiturate Complexes of All Five Alkali Metals Li–Cs

Luminescent Zero-Dimensional Hybrid Lead Thiohalide Nanostructures for High Quantum Yield and Broadband Excitation

Two new Cu(II) and Ni(II) 1,10-phenanthroline complexes with anions of barbituric acids in the outer sphere: Synthesis, structure, spectroscopic, magnetic and thermal properties

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