Gadolinium ion bonding on the surface of carboxylated detonation nanodiamond in terms of magnetochemistry and density functional theory

Osipov, V. Yu.; Boukhvalov, Danil W.; Takai, Kazuyuki

doi:10.1016/j.mencom.2020.07.010

Cited by 7 publications

(1 citation statement)

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“…The main difficulty in assessing the magnetic properties of Gd 3+ ions on the surface of DND particles is the need for a methodologically correct exclusion from consideration of the inherent paramagnetism of DND associated with paramagnetic defects [ 14 ] of the diamond matrix and the weak diamagnetism of the diamond matrix [ 15 ]. Another parallel goal of this work is the use of gadolinium spins as paramagnetic probes with a large magnetic moment to determine the depth of shallow paramagnetic centers in the DND crystal lattice.…”

Section: Introductionmentioning

confidence: 99%

Isolated Spin-7/2 Species of Gadolinium (III) Chelate Complexes on the Surface of 5-nm Diamond Particles

2023

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The magnetic characteristics of a system of triply charged gadolinium ions Gd3+ chelated with carboxyls on the surface of detonation nanodiamond (DND) particles have been studied. Gd3+ ions demonstrate almost perfect spin (S = 7/2) paramagnetism with negligible antiferromagnetic interaction between spins (Weiss temperature about −0.35 K) for a wide range of concentrations up to ~18 ions per 5 nm particle. The study of the concentration dependence of the electron paramagnetic resonance signal for DND intrinsic defects with spin ½ (g = 2.0027) shows that Gd3+ ions are located on average at a distance of no more than 1.4 nm from shallow subsurface defects with spin 1/2. At the same time, they are located (according to density functional theory calculations) at a distance of about or at least 0.28 nm from the particle surface. Magnetic studies also confirm the isolated nature of the gadolinium chelate complexes on the surface of DND particles. DND particles turn out to be an optimal carrier for high-spin 4f- ions (gadolinium) in a highly concentrated isolated state. This property makes DND-Gd particles a candidate for the role of a contrast agent for magnetic resonance imaging.

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Section: Introductionmentioning

confidence: 99%