Research output: Contribution to journal › Article › peer-review
Cadmium-inspired self-polymerization of {lniiicd2} units: Structure, magnetic and photoluminescent properties of novel trimethylacetate 1d-polymers (ln = sm, eu, tb, dy, ho, er, yb). / Shmelev, Maxim A.; Polunin, Ruslan A.; Gogoleva, Natalia V. et al.
In: Molecules, Vol. 26, No. 14, 4296, 02.07.2021.Research output: Contribution to journal › Article › peer-review
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TY - JOUR
T1 - Cadmium-inspired self-polymerization of {lniiicd2} units: Structure, magnetic and photoluminescent properties of novel trimethylacetate 1d-polymers (ln = sm, eu, tb, dy, ho, er, yb)
AU - Shmelev, Maxim A.
AU - Polunin, Ruslan A.
AU - Gogoleva, Natalia V.
AU - Evstifeev, Igor S.
AU - Vasilyev, Pavel N.
AU - Dmitriev, Alexey A.
AU - Varaksina, Evgenia A.
AU - Efimov, Nikolay N.
AU - Taydakov, Ilya V.
AU - Sidorov, Aleksey A.
AU - Kiskin, Mikhail A.
AU - Gritsan, Nina P.
AU - Kolotilov, Sergey V.
AU - Eremenko, Igor L.
N1 - Publisher Copyright: © 2021 by the authors. Licensee MDPI, Basel, Switzerland.
PY - 2021/7/2
Y1 - 2021/7/2
N2 - A series of heterometallic carboxylate 1D polymers of the general formula [LnIIICd2(piv)7(H2O)2]n·nMeCN (LnIII = Sm (1), Eu (2), Tb (3), Dy (4), Ho (5), Er (6), Yb (7); piv = anion of trimethylacetic acid) was synthesized and structurally characterized. The use of CdII instead of ZnII under similar synthetic conditions resulted in the formation of 1D polymers, in contrast to molecular trinuclear complexes with LnIIIZn2 cores. All complexes 1–7 are isostructural. The luminescent emission and excitation spectra for 2–4 have been studied, the luminescence decay kinetics for 2 and 3 was measured. Magnetic properties of the complexes 3–5 and 7 have been studied; 4 and 7 exhibited the properties of field-induced single-molecule magnets in an applied external magnetic field. Magnetic properties of 4 and 7 were modelled using results of SA-CASSCF/SO-RASSI calculations and SINGLE_ANISO procedure. Based on the analysis of the magnetization relaxation and the results of ab initio calculations, it was found that relaxation in 4 predominantly occurred by the sum of the Raman and QTM mechanisms, and by the sum of the direct and Raman mechanisms in the case of 7.
AB - A series of heterometallic carboxylate 1D polymers of the general formula [LnIIICd2(piv)7(H2O)2]n·nMeCN (LnIII = Sm (1), Eu (2), Tb (3), Dy (4), Ho (5), Er (6), Yb (7); piv = anion of trimethylacetic acid) was synthesized and structurally characterized. The use of CdII instead of ZnII under similar synthetic conditions resulted in the formation of 1D polymers, in contrast to molecular trinuclear complexes with LnIIIZn2 cores. All complexes 1–7 are isostructural. The luminescent emission and excitation spectra for 2–4 have been studied, the luminescence decay kinetics for 2 and 3 was measured. Magnetic properties of the complexes 3–5 and 7 have been studied; 4 and 7 exhibited the properties of field-induced single-molecule magnets in an applied external magnetic field. Magnetic properties of 4 and 7 were modelled using results of SA-CASSCF/SO-RASSI calculations and SINGLE_ANISO procedure. Based on the analysis of the magnetization relaxation and the results of ab initio calculations, it was found that relaxation in 4 predominantly occurred by the sum of the Raman and QTM mechanisms, and by the sum of the direct and Raman mechanisms in the case of 7.
KW - Ab initio calculations
KW - Cadmium(II)
KW - Coordination polymers
KW - Heterometallic complexes
KW - Lanthanide(III)
KW - Magnetochemistry
KW - Photoluminescence
KW - Pivalic acid
KW - X-ray diffraction study
UR - http://www.scopus.com/inward/record.url?scp=85111716012&partnerID=8YFLogxK
U2 - 10.3390/molecules26144296
DO - 10.3390/molecules26144296
M3 - Article
C2 - 34299571
AN - SCOPUS:85111716012
VL - 26
JO - Molecules
JF - Molecules
SN - 1420-3049
IS - 14
M1 - 4296
ER -
ID: 29294945