Crystal and molecular structure of sodium aqua(1,4,7,10-tetraazacyclododecane-1,4,7,10-tetraacetato)europate(III) tetrahydrate Na+(EuDOTA.H2O)-.4H2O, and its relevance to NMR studies of the conformational behavior of the lanthanide complexes formed by the macrocyclic ligand DOTA

1984 ◽  
Vol 23 (3) ◽  
pp. 359-363 ◽  
Author(s):  
Marie Rose Spirlet ◽  
Jean Rebizant ◽  
Jean F. Desreux ◽  
Marie France Loncin
Keyword(s):  
Molecular Structure ◽  
Lanthanide Complexes ◽  
Crystal And Molecular Structure ◽  
Macrocyclic Ligand ◽  
Conformational Behavior ◽  
Nmr Studies

Studies of Some Tetraazacyclopentadecadiene Complexes of Nickel(II). The Crystal and Molecular-Structure of (1RS,8SR)-(5,7,7,13,15,15-Hexamethyl-1,4,8,12-Tetraazacyclopentadeca-4,1 2-Diene)Nickel(II) Perchlorate Hydrate

1986 ◽  
Vol 39 (10) ◽  
pp. 1509 ◽  
Author(s):  
NF Curtis ◽  
GJ Gainsford
Keyword(s):  
Molecular Structure ◽  
Ground State ◽  
Crystal And Molecular Structure ◽  
Macrocyclic Ligand ◽  
Isomeric Form ◽  
Monoclinic Space Group ◽  
Singlet Ground State ◽  
Triplet Ground State ◽  
Square Planar ◽  
Coordination Plane

The crystal and molecular structure has been determined by X-ray diffractometry for the singlet ground state nickel(II) compound of a fifteen- membered tetraaza macrocyclic ligand , formed by reaction of a mixture of tris ( ethanediamine )nickel(II) and tris (propane-1,3- diamine )nickel(II) perchlorates with acetone. The compound, (1RS,8SR)- 5,7,7,13,15,15-hexamethyl-1,4,8,12-tetraazacyclopentadeca-4,12- diene )nickel(II) perchlorate hydrate, [Ni( hmpd )](ClO4)2.H2O, is monoclinic, space group P21/C, a 1158.76(14), b 1319.53(22), c 1630.35(21) pm, β 96.209(10)°, R 0.046, Rw 0.062 for 2798 reflections. The nickel(II) ion is in tetrahedrally distorted square-planar coordination [mean Ni-N distances 188.9 pm ( imine ), 191.9 pm (amine), displacements of nitrogens c. �20 pm from mean coordination plane]. Triplet ground state compounds [Ni( hmpd )( acac )]ClO4 and [{Ni( hmpd )}2C2O4](ClO4)2, with the macrocycle in folded coordination, were prepared and converted into an isomeric form of [Ni( hmpd )](ClO4)2. The 3,5,7,7,13,15,15-heptamethyl homologue of [Ni( hmpd )]2+ was prepared by reaction of tris (propane-1,2-diamine)- and tris (propane-1,3-diamine)- nickel(II) perchlorates with acetone. The electronic (d-d), 1H N.M.R. and 13C N.M.R . spectra of compounds of these macrocyclic cations, and of (5,5,7,13,15,15-hexamethyl-1,4,8,12-tetraazacyclopentadeca-7,12-diene) nickel(II) are reported.

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