The solid-state structures and ligand cavity evaluation of lanthanide(III) complexes of a DOTA analogue with a (dibenzylamino)methylphosphinate pendant arm
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216208%3A11310%2F20%3A10412394" target="_blank" >RIV/00216208:11310/20:10412394 - isvavai.cz</a>
Result on the web
<a href="https://verso.is.cuni.cz/pub/verso.fpl?fname=obd_publikace_handle&handle=N04XdGlH~P" target="_blank" >https://verso.is.cuni.cz/pub/verso.fpl?fname=obd_publikace_handle&handle=N04XdGlH~P</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1039/c9dt04056k" target="_blank" >10.1039/c9dt04056k</a>
Alternative languages
Result language
angličtina
Original language name
The solid-state structures and ligand cavity evaluation of lanthanide(III) complexes of a DOTA analogue with a (dibenzylamino)methylphosphinate pendant arm
Original language description
A series of lanthanide(III) complexes of a monophosphinate analogue of H(4)dota, 1,4,7,10-tetraazacyclododecane-1,4,7-triacetic-10-methyl[(N,N-dibenzylamino)methyl]phosphinic acid (H(4)do3ap(DBAm) = H(4)L1), were prepared and their solid-state structures were studied using single-crystal X-ray diffraction. In all structures, the ligand anion was octadentately coordinated to the Ln(III) or Sc(III) ions similarly to other DOTA-like ligands, i.e. forming parallel N-4- and O-4-planes. The lighter lanthanide(III) complexes (till dysprosium) were nonacoordinated in the twisted square-antiprismatic (TSA) configuration with the apical coordination of water molecules or oxygen atoms from the neighbouring complex unit. The heavier lanthanide(III) complexes (from terbium) were found as the "anhydrous" octacoordinated twisted square-antiprismatic (TSA') isomer. For the terbium(III) ion, both forms were structurally characterized. The structural data of the Ln(III)-H(4)L1 complexes and complexes of several related DOTA-like ligands were analysed. It clearly showed that the structural parameters for the square-antiprismatic (SA) isomers were clustered in a small range while those for the TSA/TSA' isomers were significantly more spread. The analysis also gave useful information about the influence of various pendant arms on the structure of the complexes of the DOTA-like ligands. The twist angle (torsion) of the chelate ring containing a larger phosphorus atom was similar to those of the remaining three acetate pendants. It led to a larger separation of the N4O4 planes and to smaller trans-O-Ln-O angles than the parameters found in the complexes of H(4)dota and its tetraamide derivatives dotam((R)). It resulted in a relatively long bond between the metal ion and the coordinated water molecule. It led, together with the negative charge of the oxygen atoms forming the O-4-plane, to an extremely fast water exchange rate reported for the Gd(III)-H(4)L1 complex and, generally, to a fast water exchange of Gd(III) complexes with the monophosphorus acid analogues of H(4)dota, H(5)do3ap/H(4)do3ap(R).
Czech name
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Czech description
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Classification
Type
J<sub>imp</sub> - Article in a specialist periodical, which is included in the Web of Science database
CEP classification
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OECD FORD branch
10402 - Inorganic and nuclear chemistry
Result continuities
Project
<a href="/en/project/LTC17067" target="_blank" >LTC17067: Application of NMR relaxation and diffusion measurements to assess dynamics of complex molecular systems</a><br>
Continuities
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)<br>I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace
Others
Publication year
2020
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
Dalton Transactions
ISSN
1477-9226
e-ISSN
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Volume of the periodical
49
Issue of the periodical within the volume
5
Country of publishing house
GB - UNITED KINGDOM
Number of pages
15
Pages from-to
1555-1569
UT code for WoS article
000527532000021
EID of the result in the Scopus database
2-s2.0-85079076463