The lowest energy spin-allowed crystal field band of (Et(4)N)(3)Cr(2)F(9) shows a distinct interference dip at 15,000 cm(-1) with an approximate width of 200 cm(-1). This spectroscopic feature is due to spin-orbit coupling between the (2)E and (4)T(2) excited states and is analyzed with a set of two coupled potential energy surfaces. The minimum of the (4)T(2) potential surface is displaced along at least two normal coordinates. The modes involved cannot be directly determined from the unresolved absorption spectrum, but are obtained from Raman spectra and from the well-resolved spin-forbidden crystal field transition to the (2)A(1) state. The first mode with a frequency of 415 cm(-1) has predominant Cr-F stretching character; the second mode has a frequency of 90 cm(-1) and involves the entire Cr(2)F(9)(3-) dimer.
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http://dx.doi.org/10.1021/ic001364v | DOI Listing |
RSC Adv
January 2025
Programa de Pós-Graduação em Ciência e Engenharia de Materiais, Universidade Federal Rural do Semi-Árido (UFERSA) CEP 59625-900 Mossoró RN Brazil
Chalcones demonstrate significant absorption in the near ultraviolet-visible spectrum, making them valuable for applications such as solar cells, light-emitting diodes, and nonlinear optics. This study investigates four dibenzalacetone derivatives (DBAd), DBA, DBC, DEP, and DMA, examining the impact of electron-donating and electron-withdrawing groups and conjugation elongation on their electronic structure in solvents of varying polarities. Using the Polarizable Continuum Model (PCM) and time-dependent density functional theory (TD-DFT), we characterized the excited states of these compounds.
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February 2025
National Institute of Standards and Technology, Applied Physics Division, Boulder, Colorado, United States.
Significance: Developments of anti-gametocyte drugs have been delayed due to insufficient understanding of gametocyte biology. We report a systematic workflow of data processing algorithms to quantify changes in the absorption spectrum and cell morphology of single malaria-infected erythrocytes. These changes may serve as biomarkers instrumental for the future development of antimalarial strategies, especially for anti-gametocyte drug design and testing.
View Article and Find Full Text PDFDalton Trans
January 2025
Hebei Center for New Inorganic Optoelectronic Nanomaterial Research, Hebei Key Laboratory of Heterocyclic Compounds, College of Chemical Engineering and Materials, Handan University, Handan 056002, P. R. China.
The isolation of a stable persistent carbazole-stabilized boron-centered monoradical anion 1˙, which has a high spin density at the B atom, has been reported. It is characterized using the crystal structure and UV-vis absorption spectrum, as well as electron paramagnetic resonance spectroscopy. Interestingly, the B-N bond was activated by the boron-centered radical anion 1˙, which had not been reported before.
View Article and Find Full Text PDFNanoscale
January 2025
College of Chemical Engineering, State Key Laboratory of Chemical Resource Engineering, Beijing University of Chemical Technology, Beijing 100029, China.
Interfacial solar vapor generation (ISVG) accompanied by photocatalytic degradation holds immense potential to mitigate water scarcity and pollution. Distinct from the two detached functional components (photothermal agent and photocatalyst) in a conventional evaporator, in this study, an all-in-one photothermal/catalytic agent, nitrogen-containing honeycomb carbon nanosheets (NHC), was engineered for synergistic high-efficiency steam generation and photocatalysis functions. It was demonstrated that the superoxide radical generated on the surface of NHC conferred its catalytic activity to the photodegradation of organic pollutants under full solar spectrum irradiation.
View Article and Find Full Text PDFSci Rep
January 2025
Department of Physics, Khalifa University of Science and Technology, 127788, Abu Dhabi, United Arab Emirates.
In this study, biopolymer composites based on chitosan (CS) with enhanced optical properties were functionalized using Manganese metal complexes and black tea solution dyes. The results indicate that CS with Mn-complexes can produce polymer hybrids with high absorption, high refractive index and controlled optical band gaps, with a significant reduction from 6.24 eV to 1.
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