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• W2004107906 abstract "Polyamine ligands (L) have excellent binding characteristics for the formation of fac-99mTc(CO)3-based radiopharmaceuticals. Normally, these L are elaborated so as to leave pendant groups designed to impart useful biodistribution characteristics to the fac-[99mTc(CO)3L] imaging agent. Our goal is to lay a foundation for understanding the features of the bound elaborated ligands by using the fac-[Re(CO)3L]-analogue approach with the minimal prototypical ligands, diethylenetriamine (dien) or simple dien-related derivatives. Treatment of the fac-[Re(CO)3(H2O)3]+ cation with such triamine (NNN) ligands afforded fac-[Re(CO)3L]+ complexes. Ligand variations included having a central amine thioether donor, thus allowing X-ray crystallographic and NMR spectroscopic comparisons of fac-[Re(CO)3L]+ complexes with NNN and NSN ligands. fac-[Re(CO)3L]+ complexes with two terminal exo-NH groups exhibit unusually far upfield exo-NH NMR signals in DMSO-d6. Upon the addition of Cl-, these exo-NH signals move downfield, while the signals of any endo-NH or central NH groups move very little. This behavior is attributed to the formation of 1:1 ion pairs having selective Cl- hydrogen bonding to both exo-NH groups. Base addition to a DMSO-d6 solution of meso-exo-[Re(CO)3(N,N‘,N‘ ‘-Me3dien)]PF6 led to isomerization of only one NHMe group, producing the chiral isomer. The meso isomer did not form. The [Re(CO)3(N,N,N‘,N‘ ‘,N‘ ‘-pentamethyldiethylenetriamine)]triflate·[Re(CO)3(μ3-OH)]4·3.35H2O crystal, the first structure with a fac-[Re(CO)3L] complex cocrystallized with this well-known cluster, provided parameters for a bulky NNN ligand and also reveals CO−CO interlocking intermolecular interactions that could stabilize the crystal." @default.
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• W2004107906 date "2007-11-29" @default.
• W2004107906 modified "2023-09-24" @default.
• W2004107906 title "<i>fac</i>-[Re(CO)₃<b>L</b>]⁺ Complexes with N−CH₂−CH₂−X−CH₂−CH₂−N Tridentate Ligands. Synthetic, X-ray Crystallographic, and NMR Spectroscopic Investigations" @default.
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• W2004107906 doi "https://doi.org/10.1021/ic701576u" @default.
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