A planar pi-conjugated heteroaromatic molecule 1 has been synthesized and fully characterized; it combines two characteristics, a charge-transfer transition originating from its inherent donor-acceptor nature in its neutral state and an intervalence charge-transfer transition in its 1(2+) mixed-valence state.
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http://dx.doi.org/10.1039/b601173j | DOI Listing |
Inorg Chem
January 2025
Department of Chemistry, University of Southern California, Los Angeles, California 90089, United States.
The functional properties of tetraaryl compounds, M(aryl) (M = transition metal or group 14 element), are dictated not only by their common tetrahedral geometry but also by their central atom. The identity of this atom may serve to modulate the reactivity, electrochemical, magnetic, and optical behavior of the molecular species, or of extended materials built from appropriate tetraaryl building blocks, but this has not yet been systematically evaluated. Toward this goal, here we probe the influence of Os(IV), C, and Si central atoms on the spectroelectrochemical properties of a series of redox-active tetra(ferrocenylaryl) complexes.
View Article and Find Full Text PDFJ Phys Chem Lett
January 2025
MOE Key Laboratory for Non-equilibrium Synthesis and Modulation of Condensed Matter, School of Physics, Xi'an Jiaotong University, Xi'an 710049, China.
The ultrafast excited-state dynamics of endohedral fullerenes are crucial in their photophysical and photochemical processes when they are employed as photovoltaic devices, photocatalytic devices, and single-molecule devices. In this study, by employing the non-adiabatic molecular dynamics simulations based on the time-dependent Kohn-Sham (TD-KS) method, we theoretically studied the size effect on ultrafast excited-state decay dynamics of the photoexcited Be electron in endohedral fullerenes Be@C (2 = 60, 70, and 80). These excited-state decay dynamics, which involve the charge-transfer process, occur in an ultrafast time scale of about 3 ps.
View Article and Find Full Text PDFSmall
January 2025
Beijing Key Laboratory of Energy Conversion and Storage Materials, College of Chemistry, Beijing Normal University, Beijing, 100875, P. R. China.
Establishing the relationship between catalytic performance and material structure is crucial for developing design principles for highly active catalysts. Herein, a type of perovskite fluoride, NHMnF, which owns strong-field coordination including fluorine and ammonia, is in situ grown on carbon nanotubes (CNTs) and used as a model structure to study and improve the intrinsic catalytic activity through heteroatom doping strategies. This approach optimizes spin-dependent orbital interactions to alter the charge transfer between the catalyst and reactants.
View Article and Find Full Text PDFChemistry
January 2025
Middle East Technical University: Orta Dogu Teknik Universitesi, Chemistry, Universiteler Mah., 06800, Cankaya, TURKEY.
This study introduces a new donor group capable of activating click-type [2+2] cycloaddition-retroelectrocyclizations, generally known for their limited scope. Target chromophores were synthesized using isocyanate-free urethane synthesis. The developed synthetic method allows for the tuning of the optical properties of the chromophores by modifying the donor groups, the acceptor units, and the side chains.
View Article and Find Full Text PDFInorg Chem
January 2025
Department of Chemistry and Biochemistry, The Ohio State University, Columbus, Ohio 43210, United States.
Three new hexagonal perovskites with CsMMRhCl (M = Na, Ag; M = Mn, Fe) stoichiometry have been synthesized from solution precipitation reactions. These air-stable compounds crystallize as triply cation-ordered variants of the 6H perovskite structure. This structure contains octahedra that share a common face to form MRhCl dimers that are arranged on a two-dimensional triangular network.
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