A large spin, magnetically anisotropic, octanuclear vanadium(iii) wheel-like cluster has been synthesized. The coupling between adjacent VIII ions is ferromagnetic giving a ground state of St = 8, the largest known for a vanadium-based complex.
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http://dx.doi.org/10.1039/c8cc08372j | DOI Listing |
Magn Reson Imaging
January 2025
Department of Radiology, People's Hospital of Xinjiang Uygur Autonomous Region, Urumqi, Xinjiang Uygur Autonomous Region, China. Electronic address:
3D BFFE and TRANCE can provide a visualization of pulmonary vessels without injection of contrast agent. T-SLIP can observe a large area of vessels using an arterial spin labeling technique. 3D BFFE and TRANCE with two T-SLIP placement strategies were compared on pulmonary artery imaging.
View Article and Find Full Text PDFJ Chem Theory Comput
January 2025
Instituut-Lorentz, Universiteit Leiden, Leiden 2300RA, The Netherlands.
Embedding techniques allow the efficient description of correlations within localized fragments of large molecular systems while accounting for their environment at a lower level of theory. We introduce FragPT2: a novel embedding framework that addresses multiple interacting active fragments. Fragments are assigned separate active spaces, constructed by localizing canonical molecular orbitals.
View Article and Find Full Text PDFPhys Chem Chem Phys
January 2025
The Fritz Haber Center for Molecular Dynamics, Institute of Chemistry, The Hebrew University of Jerusalem, Jerusalem 91904, Israel.
Peroxy radicals are key intermediates in many atmospheric processes. Reactions between such radicals are of particular interest as they can lead to accretion products capable of participating in new particle formation (NPF). These reactions proceed through a tetroxide intermediate, which then decomposes to a complex of two alkoxy radicals and O, with spin conservation dictating that the complex must be formed in the triplet state.
View Article and Find Full Text PDFAngew Chem Int Ed Engl
January 2025
Beijing Institute of Technology, School of Chemistry and Chemical Engineering, CHINA.
Carbene-metal-amide (CMA) complexes have diverse applications in luminescence, imaging and sensing. In this study, we designed and synthesized a series of CMA complexes, which were subsequently doped into a PMMA host. These materials demonstrate light-induced dynamic phosphorescence, attributed to their long intrinsic triplet state lifetime (τP,int, in the μs-ms scale), high intersystem crossing (ISC) rate constant (kISC, up to 107 s-1), and bright phosphorescence.
View Article and Find Full Text PDFJ Am Chem Soc
January 2025
Key Laboratory of Cluster Science of Ministry of Education, School of Chemistry and Chemical Engineering, Beijing Institute of Technology, Beijing 100081, People's Republic of China.
The integration of spin crossover (SCO) magnetic switching and electric polarization properties can engender intriguing correlated magnetic and electric phenomena. However, achieving substantial SCO-induced polarization change through rational molecular design remains a formidable challenge. Herein, we present a polar Fe(II) compound that exhibits substantial polarization change in response to a thermally regulated low-spin ↔ high-spin transition.
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