A correlation between two noise processes driving the thermally activated particles in a symmetric triple-well potential may cause a symmetry breaking and a difference in relative stability of the two side wells with respect to the middle one. This leads to an asymmetric localization of population and splitting of Kramers' rate of escape from the middle well, ensuring a preferential distribution of the products in the course of a parallel reaction.
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http://dx.doi.org/10.1063/1.2756042 | DOI Listing |
J Phys Chem A
January 2025
School of Physical Science and Technology, Southwest University, Chongqing 400715, China.
Searching for single-molecule magnets (SMM) with large effective blocking barriers, long relaxation times, and high magnetic blocking temperatures is vitally important not only for the fundamental research of magnetism at the molecular level but also for the realization of new-generation magnetic memory unit. Actinides (An) atoms possess extremely strong spin-orbit coupling (SOC) due to their 5 orbitals, and their ground multiplets are largely split into several sublevels because of the strong interplay between the SOC of An atoms and the crystal field (CF) formed by ligand atoms. Compared to TM-based SMMs, more dispersed energy level widths of An-based SMMs will give a larger total zero field splitting (ZFS) and thus provide a necessary condition to derive a higher .
View Article and Find Full Text PDFInorg Chem
October 2024
Department of Chemistry & Nano-Science Centre, University of Copenhagen, Universitetsparken 5, 2100 Copenhagen, Denmark.
Neodymium(III) is a near-infrared emissive and magnetic ion, which has found use in various high-technology applications. Yet, accurate predictions of the luminescent and magnetic properties of neodymium(III) based on the coordination environment remain to be done. Guidelines exist, but to build structure-property relationships for this element, more data are needed.
View Article and Find Full Text PDFChemistry
October 2024
Institut für Anorganische und Analytische Chemie, Friedrich-Schiller-Universität Jena, Humboldtstraße 8, 07743, Jena, Germany.
New cobalt(II)-based complexes with [NO] coordination formed by two bis-chelate ligands were synthesized and characterized by a multi-technique approach. The complexes possess an easy-axis anisotropy (D<0) and magnetic measurements show a field-induced slow relaxation of magnetization. The spin-reversal barriers, i.
View Article and Find Full Text PDFDalton Trans
May 2024
Departamento de Química Inorgánica, Facultad de Ciencias, Universidad de Granada, 18071 Granada, Spain.
We have prepared a bis(compartmental) Mannich base ligand HL (1,4,8,11-tetraaza-1,4,8,11-tetrakis(2-hydroxy-3-methoxy-5-methylbenzyl)cyclotetradecane) specifically designed to obtain bis(TMLn) tetranuclear complexes (TM = transition metal). In this regard, we have succeeded in obtaining three new complexes of the formula [Zn(μ-L)(μ-OAc)Dy(NO)]·[Zn(μ-L)(μ-OAc)Dy(NO)(OAc)]·4CHCl·2MeOH (1) and [TM(μ-HL)(μ-succinate)Ln(NO)] (NO)·2HO·6MeOH (TM = Zn, Ln = Dy (2); TM = Co, Ln = Dy (3)). Compound 1 contains two different bis(ZnDy) tetranuclear molecules that cocrystallize in the structure, in which acetato bridging ligands connect the Zn and Dy ions within each ZnDy subunit.
View Article and Find Full Text PDFPhys Chem Chem Phys
May 2024
Department of Physics, University of Zagreb Faculty of Science, Zagreb, Croatia.
Tunneling splitting (TS) patterns in vibrationally excited states of the water trimer are calculated, taking into account six tunneling pathways that describe the flips of free OH bonds and five bifurcation mechanisms that break and reform hydrogen bonds in the trimer ring. A tunneling matrix (TM) model is used to derive the energy shifts due to tunneling in terms of the six distinct TM elements in symbolic form. TM elements are calculated using the recently-developed modified WKB (Wentzel-Kramers-Brillouin) method in full dimensionality.
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