Synthesis, structure and thermal analysis of the gallium complex of 1,4,7,10-tetraazacyclo-dodecane-N,N′,N″,N‴-tetraacetic acid (DOTA)

Nerissa A. Viola; Randy S. Rarig; Wayne Ouellette; Robert P. Doyle

doi:10.1016/j.poly.2006.06.039

Synthesis, structure and thermal analysis of the gallium complex of 1,4,7,10-tetraazacyclo-dodecane-N,N′,N″,N‴-tetraacetic acid (DOTA)

Nerissa A. Viola, Randy S. Rarig, Wayne Ouellette, Robert P. Doyle

Research output: Contribution to journal › Article › peer-review

53 Scopus citations

Abstract

As part of our efforts to synthesize gallium bioconjugates based on folic acid and thiamin we have utilized 1,4,7,10-tetraazacyclo-dodecane-N,N′,N″,N‴-tetraacetic acid (DOTA) as the chelating ligand for gallium(III). The reaction of gallium chloride with DOTA at room temperature in aqueous solution affords the complex [Ga(HDOTA) · 5.5H₂O] (1), which is characterized by single-crystal X-ray spectroscopy, electrospray mass spectrometry and thermal gravimetric analysis. Gallium displays 6-coordinate distorted octahedral geometry within a puckered macrocyclic DOTA framework. The equatorial plane comprises two nitrogens of the DOTA ring and two oxygens from two of the four pendant carboxylic acid groups. The axial positions are comprised of the remaining two transannular nitrogens of the DOTA ring.

Original language	English (US)
Pages (from-to)	3457-3462
Number of pages	6
Journal	Polyhedron
Volume	25
Issue number	18
DOIs	https://doi.org/10.1016/j.poly.2006.06.039
State	Published - Dec 25 2006

Keywords

DOTA
Gallium
TGA
X-ray structure

ASJC Scopus subject areas

Physical and Theoretical Chemistry
Inorganic Chemistry
Materials Chemistry

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10.1016/j.poly.2006.06.039

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title = "Synthesis, structure and thermal analysis of the gallium complex of 1,4,7,10-tetraazacyclo-dodecane-N,N′,N″,N‴-tetraacetic acid (DOTA)",

abstract = "As part of our efforts to synthesize gallium bioconjugates based on folic acid and thiamin we have utilized 1,4,7,10-tetraazacyclo-dodecane-N,N′,N″,N‴-tetraacetic acid (DOTA) as the chelating ligand for gallium(III). The reaction of gallium chloride with DOTA at room temperature in aqueous solution affords the complex [Ga(HDOTA) · 5.5H2O] (1), which is characterized by single-crystal X-ray spectroscopy, electrospray mass spectrometry and thermal gravimetric analysis. Gallium displays 6-coordinate distorted octahedral geometry within a puckered macrocyclic DOTA framework. The equatorial plane comprises two nitrogens of the DOTA ring and two oxygens from two of the four pendant carboxylic acid groups. The axial positions are comprised of the remaining two transannular nitrogens of the DOTA ring.",

keywords = "DOTA, Gallium, TGA, X-ray structure",

author = "Viola, {Nerissa A.} and Rarig, {Randy S.} and Wayne Ouellette and Doyle, {Robert P.}",

note = "Funding Information: This work was supported by funds from Syracuse University. The authors wish to thank Colin Fuss at the Centre for Environmental Science and Engineering at Syracuse University for conducting the ICP experiments and Professor Karin Ruhlandt-Senge for use of a Innovative Technology Labmaster 100 Dry Box for weighing of the GaCl 3 . ",

year = "2006",

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doi = "10.1016/j.poly.2006.06.039",

language = "English (US)",

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AU - Viola, Nerissa A.

AU - Rarig, Randy S.

AU - Ouellette, Wayne

AU - Doyle, Robert P.

N1 - Funding Information: This work was supported by funds from Syracuse University. The authors wish to thank Colin Fuss at the Centre for Environmental Science and Engineering at Syracuse University for conducting the ICP experiments and Professor Karin Ruhlandt-Senge for use of a Innovative Technology Labmaster 100 Dry Box for weighing of the GaCl 3 .

PY - 2006/12/25

Y1 - 2006/12/25

N2 - As part of our efforts to synthesize gallium bioconjugates based on folic acid and thiamin we have utilized 1,4,7,10-tetraazacyclo-dodecane-N,N′,N″,N‴-tetraacetic acid (DOTA) as the chelating ligand for gallium(III). The reaction of gallium chloride with DOTA at room temperature in aqueous solution affords the complex [Ga(HDOTA) · 5.5H2O] (1), which is characterized by single-crystal X-ray spectroscopy, electrospray mass spectrometry and thermal gravimetric analysis. Gallium displays 6-coordinate distorted octahedral geometry within a puckered macrocyclic DOTA framework. The equatorial plane comprises two nitrogens of the DOTA ring and two oxygens from two of the four pendant carboxylic acid groups. The axial positions are comprised of the remaining two transannular nitrogens of the DOTA ring.

AB - As part of our efforts to synthesize gallium bioconjugates based on folic acid and thiamin we have utilized 1,4,7,10-tetraazacyclo-dodecane-N,N′,N″,N‴-tetraacetic acid (DOTA) as the chelating ligand for gallium(III). The reaction of gallium chloride with DOTA at room temperature in aqueous solution affords the complex [Ga(HDOTA) · 5.5H2O] (1), which is characterized by single-crystal X-ray spectroscopy, electrospray mass spectrometry and thermal gravimetric analysis. Gallium displays 6-coordinate distorted octahedral geometry within a puckered macrocyclic DOTA framework. The equatorial plane comprises two nitrogens of the DOTA ring and two oxygens from two of the four pendant carboxylic acid groups. The axial positions are comprised of the remaining two transannular nitrogens of the DOTA ring.

KW - DOTA

KW - Gallium

KW - TGA

KW - X-ray structure

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Synthesis, structure and thermal analysis of the gallium complex of 1,4,7,10-tetraazacyclo-dodecane-N,N′,N″,N‴-tetraacetic acid (DOTA)

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