FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W4313592987> ?p ?o ?g. }

• W4313592987 endingPage "206" @default.
• W4313592987 startingPage "197" @default.
• W4313592987 abstract "The {3d–4f} pentanuclear complexes with the formula [CrIII2LnIII3(PhCO2)7(OH)6 (iPrO)(NO3)(H2O)3] (iPrO = isopropoxide) (where Ln = Dy (1), Gd (2)) have been synthesized and characterized using magnetic and theoretical studies. The metal core of complexes 1 and 2 has a trigonal bipyramidal arrangement with three LnIII ions in the triangular plane and two CrIII ions occupying the axial positions. These ions are held together by six μ3-OH bridges and seven carboxylate bridges. The dc magnetic susceptibility data reveal ferromagnetic interactions presiding between CrIII and LnIII ions in 1 and 2. The fitting of the susceptibility curve employing the DFT calculated J (vide infra), yield JGdIII–GdIII = +0.008 cm–1, JCrIII–GdIII = +0.27 cm–1, and JCrIII–CrIII = −0.007 cm–1 for 2. The dynamic (ac) magnetic susceptibility studies on 1 indicate slow relaxation of magnetization with a Ueff value of 30.9 K (21.4 cm–1) and τ0 = 4.09 × 10–10 s. These extracted parameters are among the highest for any reported {CrIIIDyIII} complexes. DFT and ab initio CASSCF/RASSI–SO/SINGLE_ANISO/POLY_ANISO calculations were carried out to estimate the exchange interactions and their role in quenching the quantum tunneling of magnetization (QTM) behavior. Ab initio calculations on the DyIII ions reveal three asymmetric DyIII centers with the estimated single ion barrier in the range of 78–184 cm–1, however, with a large QTM probability. Despite a triangular {Dy3} motif, the gzz axes do not align in the triangular plane as observed in the {CrIIIDyIII6} single-molecule toroids (SMT) reported earlier by us. This is essentially due to the presence/absence of the iPrO–/carboxylate group that alters the charge distribution around the DyIII ion and hence the orientation of the corresponding gzz axis. The combination of DFT and ab initio CASSCF calculations yield JDyIII–DyIII = +0.012 cm–1, JCrIII–DyIII = +1.20 cm–1, and JCrIII–CrIII = −0.95 cm–1 for 1. The mechanism of magnetization relaxation developed for the {CrIII2DyIII3} cluster reveals that the relatively strong ferromagnetic CrIII–DyIII exchange interaction reduces the ground state QTM significantly yielding a Ueff of 38.6 cm–1, which agrees with the experimental value. Thus, our study iterates the importance of CrIII ion to enhance the exchange coupling in the {3d–4f} family of clusters." @default.
• W4313592987 created "2023-01-06" @default.
• W4313592987 creator A5041630079 @default.
• W4313592987 creator A5042077606 @default.
• W4313592987 creator A5049233230 @default.
• W4313592987 creator A5054818199 @default.
• W4313592987 creator A5057309074 @default.
• W4313592987 creator A5058507488 @default.
• W4313592987 creator A5082883549 @default.
• W4313592987 date "2022-12-21" @default.
• W4313592987 modified "2023-10-15" @default.
• W4313592987 title "Exploiting Strong {Cr^III–Dy^III} Ferromagnetic Exchange Coupling to Quench Quantum Tunneling of Magnetization in a Novel {Cr^III₂Dy^III₃} Single-Molecule Magnet" @default.
• W4313592987 cites W1499611361 @default.
• W4313592987 cites W1923892953 @default.
• W4313592987 cites W1978239898 @default.
• W4313592987 cites W1994325879 @default.
• W4313592987 cites W2002432668 @default.
• W4313592987 cites W2013469477 @default.
• W4313592987 cites W2018122440 @default.
• W4313592987 cites W2022994109 @default.
• W4313592987 cites W2030380628 @default.
• W4313592987 cites W2045238539 @default.
• W4313592987 cites W2045952721 @default.
• W4313592987 cites W2054500367 @default.
• W4313592987 cites W2055668342 @default.
• W4313592987 cites W2067320068 @default.
• W4313592987 cites W2072231951 @default.
• W4313592987 cites W2073385384 @default.
• W4313592987 cites W2078146328 @default.
• W4313592987 cites W2079112305 @default.
• W4313592987 cites W2089740902 @default.
• W4313592987 cites W2096810399 @default.
• W4313592987 cites W2102016180 @default.
• W4313592987 cites W2104259485 @default.
• W4313592987 cites W2118443411 @default.
• W4313592987 cites W2122631865 @default.
• W4313592987 cites W2127215735 @default.
• W4313592987 cites W2135374860 @default.
• W4313592987 cites W2141919348 @default.
• W4313592987 cites W2158661376 @default.
• W4313592987 cites W2165455378 @default.
• W4313592987 cites W2166402689 @default.
• W4313592987 cites W2179318030 @default.
• W4313592987 cites W2287262644 @default.
• W4313592987 cites W2312573082 @default.
• W4313592987 cites W2329192006 @default.
• W4313592987 cites W2424210401 @default.
• W4313592987 cites W2749576414 @default.
• W4313592987 cites W2766417168 @default.
• W4313592987 cites W2767011666 @default.
• W4313592987 cites W2791343620 @default.
• W4313592987 cites W2794079501 @default.
• W4313592987 cites W2806060183 @default.
• W4313592987 cites W2896379041 @default.
• W4313592987 cites W2896968078 @default.
• W4313592987 cites W2939341504 @default.
• W4313592987 cites W3002232245 @default.
• W4313592987 cites W3102983409 @default.
• W4313592987 cites W3115607337 @default.
• W4313592987 cites W3163808990 @default.
• W4313592987 cites W3215167119 @default.
• W4313592987 cites W4206197282 @default.
• W4313592987 cites W4251800033 @default.
• W4313592987 doi "https://doi.org/10.1021/acs.cgd.2c00888" @default.
• W4313592987 hasPublicationYear "2022" @default.
• W4313592987 type Work @default.
• W4313592987 citedByCount "1" @default.
• W4313592987 countsByYear W43135929872023 @default.
• W4313592987 crossrefType "journal-article" @default.
• W4313592987 hasAuthorship W4313592987A5041630079 @default.
• W4313592987 hasAuthorship W4313592987A5042077606 @default.
• W4313592987 hasAuthorship W4313592987A5049233230 @default.
• W4313592987 hasAuthorship W4313592987A5054818199 @default.
• W4313592987 hasAuthorship W4313592987A5057309074 @default.
• W4313592987 hasAuthorship W4313592987A5058507488 @default.
• W4313592987 hasAuthorship W4313592987A5082883549 @default.
• W4313592987 hasConcept C115260700 @default.
• W4313592987 hasConcept C121332964 @default.
• W4313592987 hasConcept C145148216 @default.
• W4313592987 hasConcept C15744967 @default.
• W4313592987 hasConcept C16889073 @default.
• W4313592987 hasConcept C178790620 @default.
• W4313592987 hasConcept C183971685 @default.
• W4313592987 hasConcept C185592680 @default.
• W4313592987 hasConcept C26873012 @default.
• W4313592987 hasConcept C2776029896 @default.
• W4313592987 hasConcept C2781442258 @default.
• W4313592987 hasConcept C32546565 @default.
• W4313592987 hasConcept C32909587 @default.
• W4313592987 hasConcept C54553102 @default.
• W4313592987 hasConcept C62520636 @default.
• W4313592987 hasConcept C77805123 @default.
• W4313592987 hasConcept C8010536 @default.
• W4313592987 hasConcept C82217956 @default.
• W4313592987 hasConceptScore W4313592987C115260700 @default.
• W4313592987 hasConceptScore W4313592987C121332964 @default.
• W4313592987 hasConceptScore W4313592987C145148216 @default.
• W4313592987 hasConceptScore W4313592987C15744967 @default.

• next