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The population of SAP and TSAP isomers in cyclen-based lanthanide(III) chelates is substantially affected by solvent.

Kyle J KJ Miller, Ali A AA Saherwala, Benjamin C BC Webber, Yunkou Y Wu, A Dean AD Sherry, and Mark M Woods

Inorg Chem 49(19):8662-4 (2010) PMID 20812752 PMCID PMC3033777

The square antiprism/twisted square antiprism ratio in LnDOTA-tetraamide chelates is a critical parameter in governing water-exchange kinetics and ultimately the utility of a chelate as a PARACEST MRI contrast agent. In LnDOTA-tetraamide chelates with tertiary amides, this ratio and the rate of interconversion between these two structural isomers are found to be dramatically dependent upon the solvent and possibly other local environmental factors.

DOI: 10.1021/ic101489t
Version: za2963e q8za2 q8zbd q8zcc q8zdb q8zef q8zfc q8zg8
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