High-resolution Fourier transform infrared spectrum of CH(3)D has been recorded in the region of the fundamental bands nu(3), nu(5), and nu(6) between 900 and 1700 cm(-1). High sensitivity of the equipment used as well as high accuracy of the recorded line positions gave the possibility of assigning the first-time transitions with the upper state J quantum number up to 23. In the analysis the new ground vibrational state information [O. N. Ulenikov, G. A. Onopenko, N. E. Tyabaeva, J. Schroderus, and S. Alanko, J. Mol. Spectrosc. 193, 249-259 (1999)] were used. In addition, modification of the Hamiltonian model of the interacting vibrational states (v(3) = 1), (v(5) = 1), and (v(6) = 1) allowed the theoretical description of numerous effects and peculiarities in the spectrum. In particular, sets of a(1)/a(2) splittings have been assigned and explained, not only for upper state K = 1 and 2 but also for K = 4 and 5. Moreover, unusually giant exotic splittings have been found for K = 7. The spectroscopic parameters reproducing the initial experimental energies with accuracy close to the experimental uncertainty have been determined. Copyright 2000 Academic Press.
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http://dx.doi.org/10.1006/jmsp.1999.8032 | DOI Listing |
Cureus
September 2024
Oral and Maxillofacial Surgery, Rajasthan Dental College and Hospital, Jaipur, IND.
Chem Asian J
October 2024
Department of Chemistry, Tunghai University, No.1727, Sec.4, Taiwan Boulevard, Xitun District, Taichung, 40704, Taiwan.
Novel D-A-A-π-A organic sensitizers (FZ-sensitizer), utilizing spiro [fluorene-9,9'-phenanthren]-10'-one and benzo [c][1,2,5]thiadiazole moiety as two auxiliary acceptors, are synthesized and applied in dye-sensitized solar cells (DSSCs) and hydrogen production. By incorporating a bulky spiro [fluorene-9,9'-phenanthrene]-10'-one (A) and benzo[c][1,2,5]thiadiazole (A) between the donor (D) and π-bridge moiety, structural modifications inhibit molecular aggregation, while the carbonyl group enhances the capture of Li ions, thereby delaying charge recombination. Furthermore, the extended π-conjugation broadens the light absorption range and enhances the power conversion efficiency (PCE) of FZ-2 under AM1.
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September 2023
Key Laboratory of Materials Physics and Anhui Key Laboratory of Nanomaterials and Nanotechnology, Institute of Solid State Physics, Chinese Academy of Sciences Hefei 230031 China.
Utilizing two-dimensional (2D) heterostructures in photocatalysis can enhance optical ab-sorption and charge separation, thereby increasing solar energy conversion efficiency and tackling environmental issues. Density functional theory (DFT) was employed in this study to investigate the structural and optoelectronic properties of the AgBr/SiH van der Waals (vdW) heterostructures. All three configurations (A1, A2, and A3) were stable, with direct bandgaps of 1.
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