Al(iii)-NTA-fluoride: A simple model system for Al-F binding with interesting thermodynamics
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61388963%3A_____%2F20%3A00533646" target="_blank" >RIV/61388963:_____/20:00533646 - isvavai.cz</a>
Alternative codes found
RIV/00216208:11310/20:10416616
Result on the web
<a href="https://doi.org/10.1039/D0DT02644A" target="_blank" >https://doi.org/10.1039/D0DT02644A</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1039/d0dt02644a" target="_blank" >10.1039/d0dt02644a</a>
Alternative languages
Result language
angličtina
Original language name
Al(iii)-NTA-fluoride: A simple model system for Al-F binding with interesting thermodynamics
Original language description
Al(III) complexes are extensively studied as [18F]fluoride carriers in positron emission tomography. However, our limited knowledge on their thermodynamic and kinetic properties has hindered efforts to easily prepare radiochemically pure compounds while simultaneously reducing the overall labeling time. Thus, to improve our understanding of fluoride binding to coordinatively unsaturated Al(III) complexes, we investigated the ternary system Al(III)–H3NTA–F− (H3NTA = nitrilo-triacetic acid) by NMR, potentiometry and X-ray diffraction. Our results show that the [Al(NTA)] complex binds two water molecules, which are replaced by fluorides. Individual species and isomers show separate 19F NMR signals and different stability constants. The two available positions on the [Al(NTA)] complex feature significantly different properties in terms of basicity of the coordinated water molecules and preferential binding of fluoride anions. Fluorides are effectively bound in weakly acidic or neutral solutions, whereas hydroxido species are preferentially formed in alkaline solutions. Our experimental observations were rationalized by theoretical calculations: predictions of the energy ordering of complexes and isomers, interpretation of 19F NMR chemical shifts, and natural bonding orbital analysis. Radiolabeling of [Al(NTA)] with [18F]fluoride gave low yields that confirmed a high affinity of the complex for hydroxide anions.
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
10403 - Physical chemistry
Result continuities
Project
Result was created during the realization of more than one project. More information in the Projects tab.
Continuities
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
39
Country of publishing house
GB - UNITED KINGDOM
Number of pages
11
Pages from-to
13726-13736
UT code for WoS article
000576736500023
EID of the result in the Scopus database
2-s2.0-85092944671