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1. Steric Effects of HN(CH ₂ CH ₂ PR ₂ ) ₂ on the Nuclearity of Copper Hydrides

   https://doi.org/10.1021/acs.inorgchem.0c01865  

   Ekanayake, Dewmi A.; Chakraborty, Arundhoti; Krause, Jeanette A.; Guan, Hairong (September 2020, Inorganic Chemistry)
2. VUV Photoionization Cross Sections of HO ₂ , H ₂ O ₂ , and H ₂ CO

   https://doi.org/10.1021/jp508942a  

   Dodson, Leah G.; Shen, Linhan; Savee, John D.; Eddingsaas, Nathan C.; Welz, Oliver; Taatjes, Craig A.; Osborn, David L.; Sander, Stanley P.; Okumura, Mitchio (February 2015, The Journal of Physical Chemistry A)
3. On comparison of luminescence properties of La ₂ Zr ₂ O ₇ and La ₂ Hf ₂ O ₇ nanoparticles

   https://doi.org/10.1111/jace.16693  

   Gupta, Santosh K.; Abdou, Maya; Ghosh, Partha S.; Zuniga, Jose P.; Manoharan, Ezhilarasan; Kim, HyeongJun; Mao, Yuanbing (July 2019, Journal of the American Ceramic Society)

   Abstract Unveiling the underlying mechanisms of properties of functional materials, including the luminescence differences among similar pyrochlores A₂B₂O₇, opens new gateways to select proper hosts for various optoelectronic applications by scientists and engineers. For example, although La₂Zr₂O₇(LZO) and La₂Hf₂O₇(LHO) pyrochlores have similar chemical compositional and crystallographic structural features, they demonstrate different luminescence properties both before and after doped with Eu³⁺ions. Based on our earlier work, LHO‐based nanophosphors display higher photo‐ and radioluminescence intensity, higher quantum efficiency, and longer excited state lifetime compared to LZO‐based nanophosphors. Moreover, under electronic O²⁻→Zr⁴⁺/Hf⁴⁺transition excitation at 306 nm, undoped LHO nanoparticles (NPs) have only violet blue emission, whereas LZO NPs show violet blue and red emissions. In this study, we have combined experimental and density functional theory (DFT) based theoretical calculation to explain the observed results. First, we calculated the density of state (DOS) based on DFT and studied the energetics of ionized oxygen vacancies in the band gaps of LZO and LHO theoretically, which explain their underlying luminescence difference. For Eu³⁺‐doped NPs, we performed emission intensity and lifetime calculations and found that the LHOE NPs have higher host to dopant energy transfer efficiency than the LZOE NPs (59.3% vs 24.6%), which accounts for the optical performance superiority of the former over the latter. Moreover, by corroborating our experimental data with the DFT calculations, we suggest that the Eu³⁺doping states in LHO present at exact energy position (both in majority and minority spin components) where oxygen defect states are located unlike those in LZO. Lastly, both the NPs show negligible photobleaching highlighting their potential for bioimaging applications. This current report provides a deeper understanding of the advantages of LHO over LZO as an advanced host for phosphors, scintillators, and fluoroimmunoassays. 

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4. Dibridged, Monobridged, Vinylidene-Like, and Linear Structures for the Alkaline Earth Dihydrides Be ₂ H ₂ , Mg ₂ H ₂ , Ca ₂ H ₂ , Sr ₂ H ₂ , and Ba ₂ H ₂ . Proposals for Observations

   https://doi.org/10.1021/acs.inorgchem.0c01651  

   Narendrapurapu, Beulah S.; Bowman, Michael C.; Xie, Yaoming; Schaefer, Henry F.; Tkachenko, Nikolay V.; Boldyrev, Alexander I.; Li, Guoliang (August 2020, Inorganic Chemistry)
5. Electronic structure of (MePh ₃ P) ₂ [Ni ^II (bdtCl ₂ ) ₂ ]·2(CH ₃ ) ₂ SO and (MePh ₃ P)[Ni ^III (bdtCl ₂ ) ₂ ] (bdtCl ₂ = 3,6-dichlorobenzene-1,2-dithiolate)

   https://doi.org/10.1107/S2052520621011495  

   Adamko Koziskova, Julia; Chen, Yu-Sheng; Grass, Su-Yin; Chuang, Yu-Chun; Hsu, I-Jui; Wang, Yu; Lutz, Martin; Volkov, Anatoliy; Herich, Peter; Vénosová, Barbora; et al (December 2021, Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials)

   High-resolution X-ray diffraction experiments, theoretical calculations and atom-specific X-ray absorption experiments were used to investigate two nickel complexes, (MePh 3 P) 2 [Ni II (bdtCl 2 ) 2 ]·2(CH 3 ) 2 SO [complex (1)] and (MePh 3 P)[Ni III (bdtCl 2 ) 2 ] [complex (2)]. Combining the techniques of nickel K - and sulfur K -edge X-ray absorption spectroscopy with high-resolution X-ray charge density modeling, together with theoretical calculations, the actual oxidation states of the central Ni atoms in these two complexes are investigated. Ni ions in two complexes are clearly in different oxidation states: the Ni ion of complex (1) is formally Ni II ; that of complex (2) should be formally Ni III , yet it is best described as a combination of Ni 2+ and Ni 3+ , due to the involvement of the non-innocent ligand in the Ni— L bond. A detailed description of Ni—S bond character (σ,π) is presented. 

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