Paramagnetic Resonance Absorption in Gadolinium Trichloride

Hutchison, Clyde A.; Judd, B. R.; Pope, D F D

doi:10.1088/0370-1301/70/5/308

Cited by 94 publications

(24 citation statements)

References 15 publications

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“…The significant role of the quadratic crystal field contributions to the ground state splitting of Gd 3 § was justified in [29]. Explicit expressions for the quadratic contributions of the Judd mechanism have been obtained by G. G. Siu [30].…”

Section: (38)mentioning

confidence: 99%

EPR of Gd3+ in single crystal colquiriite and analysis of the spin Hamiltonian tensorsB 4 andB 6

et al. 1997

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Abstraet. In single crystal colquiriite LiCaA1F 6 doped with Gd 3+ ions two EPR speetra of the Gd 3+ ions with the Laue site-symmetry groups C i and C3i were observed. The spectrum angular dependente for trigonal Gd 3+ centre was investigated in detail and corresponding spin Hamiltonian parameters were fitted. From analysis of the spin Hamiltonian tensors B 4 and B 6 it was established that Gd 3 § with the Laue group C3~ substitutes at Ca 2 § site with the excess charge compensation by an ion located along the threefold axis from this site. The transformation formulas for a sixth-rank irreducible Hermitian tensor under coordinate rotation are tabulated in an explicit form. By using the EPR data for Gd 3~ substituted in a variety of host crystals, the fourth-rank and sixth-rank tensors of Gd 3+ spin Hamiltonians were tabulated and correlated with structures of the coordination polyhedra al substitution sites. The results suppose a predominante of quadratic crystal field contributions into the spin Hamiltonian tensor B 4 of Gd 3+.

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Section: (38)mentioning

confidence: 99%

EPR of Gd3+ in single crystal colquiriite and analysis of the spin Hamiltonian tensorsB 4 andB 6

et al. 1997

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“…The spectrum displays resonances from nearly zero field to 12 500 G. The spectrum can be adequately modelled by using only a B 20 value of AE 0.194 cm À1 (2080 G) and a g value of 1.994. [21] As would be expected for Gd III , the B 40 B 43 , B 60 , B 63 and B 66 crystal-field parameters were found to be much smaller than the B 20 term, and attempts to fit these parameters did not produce a significantly better model of the experimental data; in fact more significant improvements in fit were obtained by modelling the line widths anisotropically. The zero-field splitting in 3 is almost an order of magnitude larger than has been reported for a related anionic bisphthalocyaninato gadolinium complex, [22] whose Dy, Tb [23] and Ho [24] analogues have been shown to behave as mono- nuclear single-molecule magnets due to the large ligand-induced zero-field splittings of their ground states.…”

Section: Resultsmentioning

confidence: 64%

A Phosphine‐Mediated Through‐Space Exchange Coupling Pathway for Unpaired Electrons in a Heterobimetallic Lanthanide–Transition Metal Complex

Raturi

Lefebvre

Leznoff

et al. 2007

Chemistry A European J

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The reaction of P(CH2OH)3 with methyl anthranilate NH2C6H4-2-CO2Me produced the ligand precursor P(CH2NHC6H4-2-CO2Me)3 (1). The reaction of 1 with [Y{N(SiMe3)2}3] produced hexadentate yttrium complex [Y{P(CH2NC6H4-2-CO2Me)3}] (2), in which the metal centre is coordinated by three amido donors and the three carbonyl oxygen atoms of the ester groups. The 31P{1H} NMR spectrum features 1J Y,P=15 Hz, and DFT calculations demonstrate that through-space interaction between the minor lobe of the phosphine lone pair and the yttrium centre allows a large Fermi contact contribution to this spin coupling constant. The EPR spectrum of the analogous paramagnetic Gd complex [Gd{P(CH2NC6H4-2-CO2Me)3}] (3) can be modelled by using a B20 crystal field parameter of +/-0.19 cm(-1). Heterodinuclear complexes were prepared by the reactions of 1 and 3 with [5,10,15,20-tetrakis(4-methoxyphenyl)porphinato]cobalt(II), by binding of the phosphine lone pair to the d(7) cobalt centre. The solid-state EPR spectrum of the heterodinuclear yttrium complex 4 exhibits large superhyperfine coupling to the phosphorus nucleus, indicative of an S=1/2 complex in which the unpaired electron resides in the cobalt dz2 orbital directed at the phosphine donor. The magnetic susceptibility of the heterodinuclear Gd-Co complex 5 demonstrates that through-space antiferromagnetic coupling occurs between unpaired electrons on the gadolinium and cobalt centres.

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“…Unfortunately, no theoretical treatment for situations with low symmetry (such as Gd3+ in BaC1,) have been published. Therefore, we shall in accordance with Vrehen [3], Willemsen and Honimels [2] and Beyerinck and Willemsen [6] assume that it is allowed to use the quantitative relation between b: and A ; which was derived by Hutchison et al [7]. (8) 12 [3 b P = yzA%r2> 7 5 w;w, where 5 is the one-electron spin-orbit coupling parameter, W, and W , ate the energy separations between t,he ground state 8S7/2 and the excited states denoted by 6P7;2 and sD7/2, respectively.…”

Section: Theorymentioning

confidence: 89%

EPR of BaCl₂:Gd³⁺

Oosterho.T

Hartog

1974

Physica Status Solidi (b)

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The g-value and the most important crystal field parameters of Gd3+ in orthorhonibic (D.1,) BaCI, are det,ermined a t room temperature: g = 1.994 (isotropic), bi = 5 9 0~ X 10+ cm-I, and b: = f444 x cm-'. The corresponding theoretical values are g = 1.993, bi = 85 x cm-', and b: = -324 x cm-'. A comparison of t,he results with ralues for Eu,+ and Gd3+ ions a t Pb2+ sites in PbCI, and PbBr, is niade. 16Der g-Faktor und die wichtigsten lirist.allfeldparameter des Gd3+ in orthorhonibischem (Di:,) BaCl, aurden bei Zimmertemperatur bestimmt: g = 1,994 (isotrop), bt = + 9 0 x X 1W4 cm-l und bi = f444 X lo-' cm-'. Die entsprechenden berechneten Werte sind g = 1.993, bi = 85 x cm-l und bi = -3 2 4~ 10-4 cm-1. Die Ergebnisse werden mit Werten fur Eu2+-und Gd3+-Ionen auf Pb2+-Gitterplatzen in PbCI, und PbBr, verglichen.

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Paramagnetic Resonance Absorption in Gadolinium Trichloride

Cited by 94 publications

References 15 publications

EPR of Gd3+ in single crystal colquiriite and analysis of the spin Hamiltonian tensorsB 4 andB 6

EPR of Gd3+ in single crystal colquiriite and analysis of the spin Hamiltonian tensorsB 4 andB 6

A Phosphine‐Mediated Through‐Space Exchange Coupling Pathway for Unpaired Electrons in a Heterobimetallic Lanthanide–Transition Metal Complex

EPR of BaCl₂:Gd³⁺

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Paramagnetic Resonance Absorption in Gadolinium Trichloride

Cited by 94 publications

References 15 publications

EPR of Gd3+ in single crystal colquiriite and analysis of the spin Hamiltonian tensorsB 4 andB 6

EPR of Gd3+ in single crystal colquiriite and analysis of the spin Hamiltonian tensorsB 4 andB 6

A Phosphine‐Mediated Through‐Space Exchange Coupling Pathway for Unpaired Electrons in a Heterobimetallic Lanthanide–Transition Metal Complex

EPR of BaCl2:Gd3+

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EPR of BaCl₂:Gd³⁺