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http://dx.doi.org/10.1103/physrevb.41.3824 | DOI Listing |
J Phys Chem A
January 2025
Institute for Molecules and Materials, FELIX Laboratory, Radboud University, Toernooiveld 7, 6525 ED Nijmegen, The Netherlands.
Symmetry breaking is ubiquitous in chemical transformations and affects various physicochemical properties of materials and molecules; Jahn-Teller (JT) distortion of hexa-coordinated transition-metal-ligand complexes falls within this paradigm. An uneven occupancy of degenerate 3d-orbitals forces the complex to adopt an axially elongated or compressed geometry, lowering the symmetry of the system and lifting the degeneracy. Coordination complexes of Cu are known to exhibit axial elongation, while compression is far less common, although this may be due to the lack of rigorous experimental verification.
View Article and Find Full Text PDFJ Phys Chem A
January 2025
Department of Chemistry, University of Michigan, Ann Arbor, Michigan 48109, United States.
Aerosols containing biological material (i.e., bioaerosols) impact public health by transporting toxins, allergens, and diseases and impact the climate by nucleating ice crystals and cloud droplets.
View Article and Find Full Text PDFBiopolymers
March 2025
Guangxi Key Laboratory of Natural Polymer Chemistry and Physics, College of Chemistry and Materials, Nanning Normal University, Nanning, People's Republic of China.
The crosslinked porous corn starch was prepared by two steps: the native corn starch was hydrolyzed by α-amylase and glucoamylase, then the porous corn was crosslinked by sodium trimetaphosphate (STMP). The morphology and size of granules, spherulites, crystal type, molecular structure, swelling properties, thermal stability and adsorption properties of the crosslinked porous starch were investigated. The results indicated that a lot of holes formed in the porous starch, and the particle size of starch granules decreased.
View Article and Find Full Text PDFAdv Sci (Weinh)
January 2025
Key Laboratory of the Ministry of Education for Advanced Catalysis Materials, Department of Chemistry, Zhejiang Normal University, Yingbin Road No.688, Jinhua, 321004, P. R. China.
Polycyclic multiple resonance (MR) molecules reveal narrowband emission, making them very promising emitters for high color purity display. Nevertheless, they still have challenges such as aggregation-induced emission quenching and spectral broadening. Overcoming these obstacles requires an in-depth understanding of the correlations among the alterations in their geometries, packing structures, and molecular vibrations and their corresponding changes in their photoluminescence (PL) properties.
View Article and Find Full Text PDFJ Phys Condens Matter
January 2025
Aix-Marseille University, CNRS, PIIM, F-13013 Marseille, France.
Metallic interfaces are locations where hydrogen (H) is expected to segregate and lead to the formation and stabilization of defects. This work focuses on the tungsten/copper (W/Cu) interface built according to theWbcc(001)/Cuhcp(112¯0)orientation. H behavior is subsequently determined at the interface and in its vicinity with electronic structure calculations based on the density functional theory.
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