Transition metal atoms grafted on the nanodiamonds surface: Identification and guest–host spin–spin interactions

Gridnev, Ilya D.; Osipov, V. Yu.

doi:10.1016/j.mencom.2022.03.001

Cited by 3 publications

(2 citation statements)

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“…[ 34 ] for the system of spins of triplet oxygen (O 2 ) adsorbed on nanographite particles with edge π-electron spins, and then adapted in Ref. [ 8 ] for the spins of transition metal ions (copper) on the surface of DND particles with internal paramagnetic defects.…”

Section: Resultsmentioning

confidence: 99%

“…Such sites are only 3–3.5% of the total number of carbon atoms on the surface with outward-facing σ-bonds. Previous estimates show that a partially carboxylated (by 30–35%) DND surface has, in principle, a large sorption capacity and can accommodate up to ~200 doubly charged metal ions [ 7 , 8 ]. Among the 4f -metal cations that successfully attach to the surface of carboxylated DND, there is also the gadolinium ion Gd 3+ .…”

Section: Introductionmentioning

confidence: 99%

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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: Resultsmentioning

confidence: 99%

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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Tracking nitrogen-to-nickel ratio and prevalent paramagnetic species in synthetic diamonds by electron spin resonance at 90 K

Osipov

Shakhov

Romanov

et al. 2022

Mendeleev Communications

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Unveiling the Structure of Metal–Nanodiamonds Bonds: Experiment and Theory

Boukhvalov,

Osipov,

Serikkanov

et al. 2024

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In this study, we conducted a theoretical simulation to compare the effects of various factors on the atomic and electronic structures and the magnetic properties of copper and gadolinium ions bonded to carboxylated species of (111) diamond surfaces. It was experimentally found that in the temperature range above 120 K, the magnetic moments of chelated Gd3+ and Cu2+ equal 6.73 and 0.981 Bohr magnetons, respectively. In the temperature range from 12 to 2 K, these magnetic moments sharply decrease to 6.38 and 0.88 Bohr magnetons. Specifically, we examined the effects of the number of covalent adatom–diamond substrate bridges, coordination of water molecules, and shallow carbon-inherited spins in the substrate on the physical properties of the metal center. Our simulation predicted that increasing the number of bonds between the chelated metal ion and substrate while decreasing the number of coordinating water molecules corresponded to a decrease in the magnetic moment of metal ions in a metal–diamond system. This is due to the redistribution of the electron charge density in an asymmetric metal–diamond system. By comparing our theoretical results with experimental data, we proposed configurations involving one and, in a minor number of cases, two surface –COO− groups and maximum coordination of water molecules as the most realistic options for Cu- and Gd-complexes.

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Transition metal atoms grafted on the nanodiamonds surface: Identification and guest–host spin–spin interactions

Cited by 3 publications

References 36 publications

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

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

Tracking nitrogen-to-nickel ratio and prevalent paramagnetic species in synthetic diamonds by electron spin resonance at 90 K

Unveiling the Structure of Metal–Nanodiamonds Bonds: Experiment and Theory

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