Solution Dynamics and Stability of Lanthanide(III) (S)-2-(p-Nitrobenzyl)DOTA Complexes

Mark Woods, Zoltan Kovacs, Robert Kiraly, Ernö Brücher, Shanrong Zhang, A. Dean Sherry

Research output: Contribution to journalArticlepeer-review

70 Scopus citations


Addition of a benzyl substituent to the macrocyclic ring of DOTA has a substantial impact on the conformational ring flipping motion of the macrocycle in the resulting LnDOTA complexes. The p-NO2-benzyl substituent in the Ln(p-NO2-Bn-DOTA)- complexes lies in an equatorial position and effectively "locks" the conformation of the ring into the δδδδ configuration. The presence of the p-NO 2-benzyl group also increases the population of the square antiprismatic (SAP) coordination isomer for all Ln(p-NO 2-Bn-DOTA)- complexes relative to that seen for the respective LnDOTA- complexes. Despite this increase in SAP isomer population, the rate of water exchange in these complexes remains comparatively fast. The kinetic and thermodynamic stabilities of the Ln(p-NO 2-Bn-DOTA)- complexes are also slightly lower than the corresponding LnDOTA- complexes but appear to be sufficiently high for in vivo use.

Original languageEnglish (US)
Pages (from-to)2845-2851
Number of pages7
JournalInorganic Chemistry
Issue number9
StatePublished - May 3 2004

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry
  • Inorganic Chemistry


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