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1.
Dalton Trans ; 48(41): 15386-15396, 2019 Nov 07.
Article in English | MEDLINE | ID: mdl-31257389

ABSTRACT

Two new neodymium molecular magnets of formula {[Nd(α-fur)3(H2O)2]·DMF}n (1) and {[Nd0.065La0.935(α-fur)3(H2O)2]}n (2), α-fur = C4H3OCOO, have been synthesized. In (1) the furoate ligands, in bidentate bridging mode, consolidate zig-zag chains running along the a-direction. Compound (2) is a magnetically diluted complex of a polymeric chain along the b-axis. Heat capacity, dc magnetization and ac susceptibility measurements have been performed from 1.8 K up to room temperature. Ab initio calculations yielded the gyromagnetic factors gx* = 0.52, gy* = 1.03, gz* = 4.41 for (1) and gx* = 1.35, gy* = 1.98, gz* = 3.88 for (2), and predicted energy gaps of Δ/kB = 125.5 K (1) and Δ/kB = 58.8 K (2). Heat capacity and magnetometry measurements agree with these predictions, and confirm the non-negligible transversal anisotropy of the Kramers doublet ground state. A weak intrachain antiferromagnetic interaction J'/kB = -3.15 × 10-3 K was found for (1). No slow relaxation is observed at H = 0, attributed to the sizable transverse anisotropy component, and/or dipolar or exchange interactions enhancing the quantum tunnelling probability. Under an external applied field as small as 80 Oe, two slow relaxation processes appear: above 3 K the first relaxation mechanism is associated to a combination of Orbach process, with a sizeable activation energy U/kB = 121 K at 1.2 kOe for (1), Raman and direct processes; the second, slowest relaxation mechanism is associated to a direct process, affected by phonon-bottleneck effect. For complex (2) a smaller U/kB = 61 K at 1.2 kOe is found, together with larger g*-transversal terms, and the low-frequency process is quenched. The reported complexes represent rare polymeric Nd single-ion magnets exhibiting high activation energies among the scarce Nd(iii) family.

2.
Dalton Trans ; 48(15): 5022-5034, 2019 Apr 09.
Article in English | MEDLINE | ID: mdl-30916067

ABSTRACT

We report the synthesis, crystal structure and magnetic properties of a new heteronuclear polymeric complex based on non-Kramers Tb ions and carboxylic α-fur = C4H3OCOO ligands: {[Tb2Ba(α-fur)8(H2O)4]·2H2O}n. The α-furoate ligands consolidate 1D zig-zag chains running along the c-axis, formed by Tb2 dimers separated by Ba ions. Ab initio calculations, in combination with the fit of experimental data, predict that the single-ion magnetic ground state is highly anisotropic () and consists of a quasi-doublet with a ΔTb/kB = 3.22 K gap, well separated from the next excited state, while the gap for the Tb2 dimer is Δ2Tb/kB = 2.58 K. Static magnetization and heat capacity measurements show that, magnetically, the system can be modeled as dimers of non-Kramers Tb ions, coupled by an antiferromagnetic intradimer interaction J'*/kB = -1.6 K. Dipolar interactions couple the Tb ions in the dimer with their first neighbour ions along the chain, with J''*/kB = -0.15 K, and with the surrounding ions out of the chain, with maximum J'''*/kB = -0.03 K. Ac susceptibility measurements in H = 0 performed down to 50 mK temperatures have enabled us to observe slow relaxation of magnetization, with an Orbach-like activation energy of U/kB = 1.1 K. It is assigned to the sluggish response of the 3D spin system due to a short-range ordering, possibly enhanced by the presence of disorder caused by defects in the polymeric chains. Under the application of a magnetic field, the system slowly relaxes by two distinct direct processes, strongly affected by a phonon bottleneck effect. We discuss the different relaxational phenomenology of the new complex in comparison with that of the isostructural {[Dy2Ba(α-fur)8(H2O)4]·2H2O}n, differing only in the Kramers nature of the ions, and the mononuclear {Ln(α-fur)3(H2O)3}n (Ln = Tb, Dy) complexes, previously reported.

3.
J Healthc Qual Res ; 33(2): 75-81, 2018.
Article in Spanish | MEDLINE | ID: mdl-29534933

ABSTRACT

OBJECTIVE: To analyse the use of complementary tests and their relationship with safety incidents in hospital emergency departments. METHODOLOGY: An analysis was performed on 935 patients seen in the 9 hospital emergency departments. The source of data used for the detection of incidents were: emergency department clinical record and reports, together with face-to-face observation in the department, plus a telephone survey of the patient or family member at one week after the care. Statistical tests used: The Student t test for quantitative variables, Chi squared test for qualitative variables, and the ANOVA test. RESULTS: A peripheral venous catheter was used in 397 patients (42.4% (95% CI; 39.3-45.5%)), with a variability with significant differences between hospitals (P<.01), with a range of use from 37% to 81.8%. It was also observed that in 23.4% (95% CI; 19.2-27.6%) of the cases, the catheter was not used after the first blood draw. Radiological tests were requested for 351 patients, 37.7% (95% CI; 34.6-40.8%), also with significant differences between hospitals (P<.01), ranging from 24.6 to 65, 1%. Incidents were detected in 95 (10.2%) patients (95% CI; 8.3-12.1%) in the all the study centres. A higher proportion of safety incidents have been observed in patients where peripheral venous catheter has been used (12.8%) than in those in whom they had not been used (8.5%) (P=.03), as well as in patients on whom an x-ray was requested (12.8%) compared to those who did not (8.64%) (P=.04). A longer stay was also observed in cases with an incident (mean 248.9minutes) than in those where there were none (mean 164.1minutes) (P<.001). No statistically significant differences were found in the other parameters studied. CONCLUSION: A relationship was observed between the use of a peripheral venous catheter (many of them without use) and radiological tests and the occurrence of safety incidents in the Emergency Departments.


Subject(s)
Catheterization, Peripheral/adverse effects , Emergency Service, Hospital/statistics & numerical data , Medical Errors/statistics & numerical data , Patient Safety/statistics & numerical data , Radiography/adverse effects , Adult , Analysis of Variance , Catheterization, Peripheral/statistics & numerical data , Chi-Square Distribution , Confidence Intervals , Cross-Sectional Studies , Female , Humans , Male , Middle Aged , Radiography/statistics & numerical data , Spain , Triage/statistics & numerical data
4.
Dalton Trans ; 44(31): 14178, 2015 Aug 21.
Article in English | MEDLINE | ID: mdl-26193067

ABSTRACT

Correction for 'Magnetic relaxation versus 3D long-range ordering in {Dy2Ba(α-fur)8}n furoate polymers' by E. Bartolomé et al., Dalton Trans., 2014, 43, 10999-11013.

5.
Dalton Trans ; 43(32): 12342-56, 2014 Aug 28.
Article in English | MEDLINE | ID: mdl-24988294

ABSTRACT

The lanthanide(iii) cyanoacetate complexes of the formula {[Ln2(CNCH2COO)6(H2O)4]·2H2O}n, where Ln = Eu (), Gd (), Nd (), have been prepared and characterized by X-ray diffraction analysis. Complexes and are isostructural and differ from the binding scheme of the neodymium compound , structurally described earlier. In all cases, the cyano group of the cyanoacetate ligand is not coordinated to the lanthanide cation. The carboxylic groups exhibit different binding modes: 2-bidentate-chelating, 2-bidentate and 2-tridentate-chelating bridging for and , and 4-bidentate and 2-tridentate-chelating bridging for the complex . The Eu compound shows field induced paramagnetism, as expected for a non-magnetic ground state with mixing from higher states. Combining the dc magnetization and luminescence measurements the spin-orbit coupling constant λ = 343 ± 4 cm(-1) was found, averaged over the two different sites for Eu in the lattice. In the Gd complex , a crystal field splitting of D/kB = -0.11 ± 0.01 K has been found for the S = 7/2 multiplet of the Gd(iii) ion. No slow relaxation at H = 0 is observed because the low anisotropy barrier allows fast spin reversal through classical processes. The application of an external magnetic field induces two slow relaxation processes. It is argued that the first relaxation rate is caused by the resonant phonon trapping (RPT) mechanism, while the second, slower relaxation rate is due to the lifting of the Kramers degeneracy on the ground state. For compound heat capacity and dc susceptibility measurements indicate that at very low temperatures the ground state Kramers doublet has strong single ion anisotropy. The energy to the next excited doublet ΔZFS/kB = 104 K has been calculated by ab initio calculation methods. The g* tensor has also been calculated, showing that it has predominant anisotropy along the z-axis, and there is an important transversal component. At H = 0 quantum tunnelling is an effective mechanism in producing a fast relaxation to equilibrium at temperatures above 1.8 K. The dipolar or exchange interactions and a sizable transverse anisotropy component in the ground state enhance the quantum tunneling probability. Under an external applied field, two slow relaxation processes appear: above 3 K the first relaxation mechanism is of the Orbach type, with an activation energy U/kB = 27 K; the slower relaxation is caused by the direct relaxation process from the ground state to the Kramers split levels by the applied field.

6.
Dalton Trans ; 43(28): 10999-1013, 2014 Jul 28.
Article in English | MEDLINE | ID: mdl-24911469

ABSTRACT

A novel Dy-complex formulated as {[Dy2Ba(α-C4H3OCOO)8·(H2O)4]·2H2O}n, {Dy2Ba(α-fur)8}n, has been synthesized, structurally characterized, and magnetically and thermally investigated as a function of field and temperature, down to 85 mK. The α-furoate ligands consolidate 1D zig-zag chains formed by Dy2 dimers separated by Ba ions. Ab initio calculations were used to determine the easy anisotropy axis direction, the gyromagnetic tensor components and the energy levels of each Dy. The heat capacity and susceptibility measurements allowed us to conclude that intradimer and interdimer interactions are ferromagnetic and of the same order, J'/k(B) ≈ J''/k(B) = +0.55 K. In the absence of an applied magnetic field, the dynamic relaxation of the magnetization occurs through the fast (τ(T) ~ 10(-5) s) spin-reversal of each of the individual Dys through a quantum tunneling (QT) process. A long-range 3D ordered state is achieved at T(N) = 0.25 K, in which the ferromagnetically coupled zig-zag chains (J'/k(B) ≈ J''/k(B) = +0.528(1) K) running along the c-axis are antiferromagnetically coupled to the adjacent chains (J'''/k(B) = -0.021(1) K). Critical slowing down of the QT time constant is observed when the temperature approaches T(N). Under the application of a magnetic field, the QT relaxation is replaced by an Orbach process (with energy barrier U/k(B) = 68 K and τ0 ~ 10(-9) s at H = 2 kOe) and a very slow (τ(s) ∼ 0.2 s) relaxation process. We propose and demonstrate the proof of concept of a spintronic device, in which two different relaxation rates can be selected, and on/off switched by magnetic field biasing. The dynamical behavior of this compound is compared with another furoate to discuss the effect of competitive interactions.

7.
Phys Rev Lett ; 95(22): 227202, 2005 Nov 25.
Article in English | MEDLINE | ID: mdl-16384259

ABSTRACT

We use neutron diffraction to probe the magnetization components of a crystal of Mn12 single-molecule magnets. Each of these molecules behaves, at low temperatures, as a nanomagnet with spin S = 10 and strong anisotropy along the crystallographic c axis. The application of a magnetic field H(perpendicular) perpendicular to c induces quantum tunneling between opposite spin orientations, enabling the spins to attain thermal equilibrium. For T approximately < 0.9(1) K, this equilibrium state shows spontaneous magnetization, indicating the onset of ferromagnetism. These long-range magnetic correlations nearly disappear for mu0H(perpendicular) approximately > 5.5 T, possibly suggesting the existence of a quantum critical point.

10.
IEEE Trans Biomed Eng ; 43(7): 690-6, 1996 Jul.
Article in English | MEDLINE | ID: mdl-9216140

ABSTRACT

The correlation between source asymmetry in the brain and the potential amplitude asymmetry on the scalp was studied by a two-dimensional (2-D) numerical model of the head. The model employed computerized tomography (CT) images to define the different compartments of the head. The source was modeled by a dipole layer in the occiput for an occipital source (visual evoked potential generators) or a dipole layer around the cortex representing spontaneous activity generators. The volume conductor equation for the potential distribution was solved numerically using a finite volume method for two CT images; one had relatively symmetric left-right anatomy while the other had a falx deviation of 6 degrees between the occiput and the nasion-inion line. By examining several arrangements of sources, it has been demonstrated that source asymmetry can cause nonnegligible asymmetry in the potential amplitude at the homotopic points on the scalp. This asymmetry, that is not related to real physiologic or psychological origin, should be taken into consideration in any EEG potential distribution analysis.


Subject(s)
Head/diagnostic imaging , Models, Neurological , Scalp/diagnostic imaging , Body Fluid Compartments , Brain/diagnostic imaging , Cerebrospinal Fluid/diagnostic imaging , Electric Conductivity , Electric Impedance , Electroencephalography , Evoked Potentials, Visual , Humans , Skull/diagnostic imaging , Tomography, X-Ray Computed
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