easyspin matlab routine (MathWorks Inc)
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Easyspin Matlab Routine, supplied by MathWorks Inc, used in various techniques. Bioz Stars score: 90/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
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other:Article Title: Synthesis, crystal structure and magnetic properties of two 1D coordination polymers containing Co2+ and Cu2+ ions and 1,3,5-tris(4-carboxylphenyl)benzene Article Snippet: Two 1D coordination polymers, {[Co(H3BTB)2(phen)](NO3)2}n (1) and {[Cu(HBTB)2(phen)] DMF}n (2), were synthesized through a slow diffusion reaction between the metal ions Co2+ or Cu2+, 1,3,5-tris(4-carboxylphenyl) benzene (H3BTB) and 1,10-phenanthroline (phen).. Single-crystal X-ray diffraction revealed that both metal centers are involved in a distorted octahedral environment.. As expected for a Cu2+ ion with a d9 configuration, a pronounced Jahn-Teller distortion is observed. Article Title: The role of oxygen vacancies and Zn in isobutene synthesis from ethanol employing Zn, Zr-based catalysts Article Snippet: Zn, Zr-based catalysts were prepared by dry impregnation and employed in the synthesis of isobutene from ethanol in the presence of water.. The catalysts were characterized by means of several techniques such as XPS, XRD, N2 physical adsorption, HRTEM, NH3-TPD, EPR, CO2-TPD, XRF, ethanol-TPD, and CO2/H2-TPSR.. The mechanism of isobutene synthesis from ethanol was examined using density functional theory (DFT) calculations. Article Title: Synthesis, crystal structure and magnetic properties of a new Cu(II) dimer, containing 1,3,5-tris(4-carboxylphenyl)benzene and 5–5′dimethyl-2,2′dipyridyl Article Snippet: In this contribution, we report the crystal structure and magnetic properties of a new copper dimer prepared through the reaction of CuCl2⋅6H2O with the pre-ligands H3BTB (1,3,5-tris(4-carboxylphenyl)benzene) and dmdpy (5–5′dimethyl-2,2′dipyridyl), with the stoichiometric ratio 1:2:1, respectively.. The dinuclear complex [Cu2(HBTB)2(dmdpy)2]•2H2O presents two pentacoordinated Cu(II) ions connected by the polycarboxylate HBTB ligand.. The study of the magnetic properties revealed no significant magnetic interactions between the Cu |
![Orientational DEER study of Cu 2 -[3] at Q-band. (a) Echo-detected field-swept ESR spectrum (black) and simulation (red) using the Matlab® <t>EasySpin</t> routine (pepper function), with spin Hamiltonian parameters: g = [2.041, 2.051, 2.191], A 65 Cu = [72, 89, 639] MHz and l w = [2, 2] mT. The field positions used to record the DEER traces are indicated with vertical lines. (b) Background-corrected and modulation depth-normalised DEER traces acquired at the different field positions (colour) and corresponding orientation-dependent fits (black). Modulation depths were ∼2–3% before normalization in all cases. (c) Distance distributions obtained from the orientation-dependent analysis of the DEER (black) and LITTER (red) datasets. In each case the center-to-center distribution of distances are plotted as dashed lines and the point dipole distribution of distance distribution calculated from pairwise distances of atoms possessing spin density on different chromophores is shown as a solid line. (d) DFT-optimised geometry showing the different positions of the CuTPP centre most contributing to the fit as gey spheres, relative to the g -tensor frame of the other CuTPP (arrows: red = g x , green = g y , blue = g z ). The diameter of the spheres is proportional to the number of times a single conformation contributes to the complete fit shown in panel (b). A rotated view is provided in Fig. S11 (ESI ). The TPP centre positions from have been included for comparison (red).](https://pub-med-central-images-cdn.bioz.com/pub_med_central_ids_ending_with_3979/pmc10793979/pmc10793979__d3cp03454b-f3.jpg)