Synthesis, solid-state, solution, and theoretical characterization of an “in-cage” scandium-NOTA complex

Aldrich, Kelly E.; Popov, Ivan A.; Root, Harrison D.; Batista, Enrique R.; Greer, Samuel M.; Kozimor, Stosh A.; Lilley, Laura M.; Livshits, Maksim Y.; Mocko, Veronika; Janicke, Michael T.; Scott, Brian L.; Stein, Benjamin W.; Yang, Ping

doi:10.1039/D1DT03887G

Synthesis, solid-state, solution, and theoretical characterization of an “in-cage” scandium-NOTA complex

Journal Article · Tue Jul 05 00:00:00 EDT 2022 · Dalton Transactions

DOI:https://doi.org/10.1039/D1DT03887G· OSTI ID:1873785

Aldrich, Kelly E. ^[1]; ^[2]; Root, Harrison D. ^[1]; ^[1]; Greer, Samuel M. ^[1]; ^[1]; ^[1]; ^[1]; Mocko, Veronika ^[1]; ^[1]; ^[1]; ^[1]; ^[1]

Los Alamos National Laboratory, Los Alamos, NM, USA
Los Alamos National Laboratory, Los Alamos, NM, USA, Department of Chemistry, The University of Akron, Akron, Ohio 44325-3601, USA

A synthetic method was developed that encapsulated Sc ³⁺ within the macrocyclic chelate, 1,4,7-triazacyclononane-1,4,7-triacetic acid (H ₃ NOTA). Encapsulation of Sc ³⁺ by NOTA ³⁻ was confirmed by single crystal X-ray diffraction, ⁴⁵ Sc NMR spectroscopy, and DFT calculations.

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Research Organization:: Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)

Sponsoring Organization:: Glenn T. Seaborg Institute; J. Robert Oppenheimer Distinguished Postdoctoral Fellowship; USDOE; USDOE Laboratory Directed Research and Development (LDRD) Program; USDOE Office of Science (SC), Basic Energy Sciences (BES)

Grant/Contract Number:: 89233218CNA000001

OSTI ID:: 1873785

Alternate ID(s):: OSTI ID: 1874923

Report Number(s):: LA-UR-21-22369

Journal Information:: Dalton Transactions, Journal Name: Dalton Transactions Journal Issue: 26 Vol. 51; ISSN 1477-9226; ISSN ICHBD9

Publisher:: Royal Society of Chemistry (RSC)Copyright Statement

Country of Publication:: United Kingdom

Language:: English

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