Raman, IR and UV-vis-NIR experiments of formamide (FA) and nickel chloride solutions at different compositions were carried out. The quantitative Raman study at the νCN region shows that 5 FA molecules are coordinated to Ni (II) and the sixth position of the octahedron is occupied by one chloride, with preferential formation of [Ni(FA)5Cl]Cl in concentrations near 0.1 mol kg(-1). In higher concentrations the [Ni(FA)4Cl2] complex becomes the most abundant. The downshift of the νCO mode of FA was evidenced by the appearance of a new band at 1640 cm(-1) in the IR spectra of the most concentrated salt solutions. Also, the downshift of the δOCN mode combined with the upshift of the νCN vibration have allowed us realize that Ni (II) is coordinated by the O atom of FA. The d orbital splitting (Δo) has been directly determined from the electronic spectrum of the [Ni(FA)6]Cl2 complex and FA has been included in the spectrochemical series.
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http://dx.doi.org/10.1016/j.saa.2011.12.016 | DOI Listing |
J Phys Chem A
January 2025
Astrophysik/I. Physikalisches Institut, Universität zu Köln, Köln 50937, Germany.
The methoxy radical, CHO, has long been studied experimentally and theoretically by spectroscopists because it displays a weak Jahn-Teller effect in its electronic ground state, combined with a strong spin-orbit interaction. In this work, we report an extension of the measurement of the pure rotational spectrum of the radical in its vibrational ground state in the submillimeter-wave region (350-860 GHz). CHO was produced by H-abstraction from methanol using F atoms, and its spectrum was probed in absorption using an association of source-frequency modulation and Zeeman modulation spectroscopy.
View Article and Find Full Text PDFACS Appl Mater Interfaces
January 2025
Department of Engineering Science and Mechanics, The Pennsylvania State University, University Park, Pennsylvania 16802, United States.
We study the Raman signature of stripe domains in monolayer WMoS alloys, characterized using experimental techniques and density functional theory (DFT) calculations. These stripe domains were found in star-shaped monolayer WS exhibiting a high concentration of molybdenum (Mo) atoms in its central region, and unique Raman peaks that were not previously reported. We attribute these peaks to the splitting of the original doubly degenerate E modes, arising from the lower symmetry of the W-Mo stripe domains.
View Article and Find Full Text PDFJ Chem Phys
January 2025
Department of Chemistry, Johns Hopkins University, Baltimore, Maryland 21218, USA.
Electronic spectra for OThF have been recorded using fluorescence excitation and two-photon resonantly enhanced ionization techniques. Multiple vibronic bands were observed in the 340-460 nm range. Dispersed fluorescence spectra provided ground state vibrational constants and evidence of extensive vibronic state mixing at higher excitation energies.
View Article and Find Full Text PDFACS Nano
January 2025
Instituto de Física de São Carlos, Universidade de São Paulo, São Carlos 13566-590, Brazil.
Monolayers of transition-metal dichalcogenides, such as MoS, have attracted significant attention for their exceptional electronic and optical properties, positioning them as ideal candidates for advanced optoelectronic applications. Despite their strong excitonic effects, the atomic-scale thickness of these materials limits their light absorption efficiency, necessitating innovative strategies to enhance light-matter interactions. Plasmonic nanostructures offer a promising solution to overcome those challenges by amplifying the electromagnetic field and also introducing other mechanisms, such as hot electron injection.
View Article and Find Full Text PDFSci Rep
January 2025
Department of Communications and Electronics, Delta Higher Institute of Engineering and Technology, Mansoura, 35111, Egypt.
The research study objective seeks to improve the efficiency of wind turbines using state-of-the-art techniques in the domain of ML, making wind energy the key player in fashioning a favorable future. Wind Turbine Health Monitoring (WTHM) is typically achieved through either vibration analysis or by using Supervisory Control and Data Acquisition (SCADA) data of wind turbines, wherein conventional fault pattern identification is a time-consuming, guesswork process. This work proposed an intelligent automated approach to early fault detection through the implementation of the HARO (Huber Adam Regression Optimizer) model, which combines Transformer networks with Lasso Regression and the Adam optimizer.
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