These tools will no longer be maintained as of December 31, 2024. Archived website can be found here. PubMed4Hh GitHub repository can be found here. Contact NLM Customer Service if you have questions.


Pubmed for Handhelds

PUBMED FOR HANDHELDS

Search MEDLINE/PubMed

  • Title: Direct synthesis, crystal structure, high-Field EPR, and magnetic studies on an octanuclear heterometallic Cu(II)/Cd complex of triethanolamine.
    Author: Buvaylo EA, Kokozay VN, Vassilyeva OY, Skelton BW, Eremenko IL, Jezierska J, Ozarowski A.
    Journal: Inorg Chem; 2009 Dec 07; 48(23):11092-7. PubMed ID: 19891429.
    Abstract:
    The reaction of zerovalent copper with cadmium iodide and triethanolamine (H(3)L) in dimethylformamide (dmf) carried out under open-air conditions afforded a novel heterometallic complex [Cu(3)(HL)(3)CdI(2)](2) x 4 dmf. The crystal lattice consists of an octanuclear molecule [Cu(3)(HL)(3)CdI(2)](2), which has an inversion center at the midpoint of the central Cu(2)O(2) unit, and of two non-coordinating dmf molecules. Eight metal atoms linked by alkoxide arms of triethanolamine ligands form a zigzag Cd-Cu1-Cu2-Cu3-Cu4-Cu5-Cu6-Cd chain with the separations between bridged Cu atoms in the range 2.935(2)-3.403(2) A. The complex is further stabilized by intramolecular O-H...O hydrogen bonds. High-field electron paramagnetic resonance (EPR) spectra of the S = 1 spin state with D((S=1)) = -0.843 cm(-1), E((S=1)) = -0.081 cm(-1) were observed. Fitting the magnetic susceptibility temperature dependence by using the exchange Hamiltonian H(HDVV) = J(1)(S(1)S(2) + S(5)S(6)) + J(2)(S(2)S(3) + S(4)S(5) )+ J(3)S(3)S(4), to which terms expressing the zero-field splitting and Zeeman splitting of the ground S = 1 state were added, resulted in J(1) = 68, J(2) = 19, J(3) = -57 cm(-1). "Broken symmetry" DFT calculations correctly predicted the triplet ground state of the hexa-copper system.
    [Abstract] [Full Text] [Related] [New Search]