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Bulletin of the Korean Chemical Society (BKCS)

ISSN 0253-2964(Print)
ISSN 1229-5949(Online)
Volume 27, Number 7
BKCSDE 27(7)
July 20, 2006 

Synthesis and Magnetic Relaxation Properties of Paramagnetic Gd-complexes of New DTPA-bis-amides. The X-ray Crystal Structure of [Gd(L)(H2O)]·3H2O (L = DTPA-bis(4-carboxylicphenyl)amide)
Sujit Dutta, Suk-Kyung Kim, Eun Jung Lee, Tae-Jeong Kim*, Duk-Sik Kang, Yongmin Chang*, Sang Ook Kang, Won-Sik Han
DTPA-bis(amide), Gd-complex, MRI contrast agent, Relaxivity
A new type of DTPA-bis-amides (L1-L4) and their Gd(III)-complexes of the type [Gd(L)(H2O)]·nH2O (5: L1; 6: L2; 7: L3; 8: L4) have been prepared and characterized by analytical and spectroscopic techniques. The Xray crystal structure of 8 has been determined for structural confirmation. The coordination geometry adopts a tricapped trigonal prism geometry with L4 acting as a chelate octadentate and a water molecule in the coordination sphere. Crystals are monoclinic, P21, a = 14.468(3), b = 19.235(4), c = 13.527(2) A, β = 107.245(3)°, V = 3595.2(11) A3, Z = 4, Dcalc = 1.570. Significant increases in relaxivities are observed with 6 and 7 as compared with that of Omniscan?, a commercial MR agent: R1 = 12.46 mM-1 s-1, R2 = 8.76 mM-1 s-1 for 6; R1 = 12.77 nm-1 s-1, R2 = 7.60 mM-1 s-1 for 7; R1 = 4.9 mM-1 s-1, R2 = 4.8 mm-1 s-1 for Omniscan?. In the case of 5, however, both R1 and R2 are found to be lower to show 2.09 mM-1 s-1 and 1.82 mM-1 s-1, respectively.
1038 - 1042
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