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1. d 6 versus d 10 , Which Is Better for Second Harmonic Generation Susceptibility? A Case Study of K 2 TGe 3 Ch 8 (T = Fe, Cd; Ch = S, Se)

   https://doi.org/10.1021/acs.inorgchem.2c03852  

   Ji, Bingheng ; Wang, Fei ; Wu, Kui ; Zhang, Bingbing ; Wang, Jian ( January 2023 , Inorganic Chemistry)
2. A d 8 anti-Hund’s singlet insulator in an infinite-layer nickelate

   https://doi.org/10.1088/2515-7639/ac6040  

   Jin, Hyo-Sun ; Pickett, Warren E. ; Lee, Kwan-Woo ( April 2022 , Journal of Physics: Materials)

   The status of nickelate superconductors in relation to cuprate high temperature superconductors is one of the concepts being discussed in high temperature superconductivity in correlated transition metal oxides. New additions to the class of infinite layer nickelates can provide essential input relating to connections or distinctions. A recently synthesized compound Ba₂NiO₂(AgSe)₂, which contains isolated ‘infinite layer’ NiO₂planes, may lead to new insights. Our investigations have discovered that, at density functional theory mean field level, the ground state consists of an unusual$e_{\mathrm{g}}$singlet on the Ni²⁺ion arising from large but separate Mott insulating gaps in both$e_{\mathrm{g}}$orbitals, but with different, anti-Hund’s, spin directions of their moments. This textured singlet incorporates at the least new physics, and potentially a new platform for nickelate superconductivity, which might be of an unconventional form for transition metal oxides due to the unconventional undoped state. We include in this paper a comparison of electronic structure parameters of Ba₂NiO₂(AgSe)₂with a better characterized infinite layer nickelate LaNiO₂. We provide more analysis of thed⁸anti-Hund’s singlet that emerges in this compound, and consider a minimally correlated wavefunction for this singlet in an itinerant background, and begin discussion of excitations—real or virtual—that may figure into new electronic phases.

    

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3. Spectroscopic study of the 4 f 7 6 s 2 8 S 7/2∘−4 f 7 ( 8 S ∘ )6 s 6 p ( 1 P ∘ ) 8 P 9/2 transition in neutral europium-151 and europium-153: absolute frequency and hyperfine structure

   https://doi.org/10.1364/JOSAB.467968  

   Herd, M. T. ; Maruko, C. ; Herzog, M. M. ; Brand, A. ; Cannon, G. ; Duah, B. ; Hollin, N. ; Karani, T. ; Wallace, A. ; Whitmore, M. ; et al ( September 2022 , Journal of the Optical Society of America B)

   We report on spectroscopic measurements on the$4f^{7}6s^2{}^8{S}_{7/2}^{\circ <\#comment/>}\to <\#comment/>4f^7{(}^8{S}^{\circ <\#comment/>})6s6p{(}^1{P}^{\circ <\#comment/>}){}^8{P}_{9/2}$transition in neutral europium-151 and europium-153 at 459.4 nm. The center of gravity frequencies for the 151 and 153 isotopes, reported for the first time in this paper, to our knowledge, were found to be 652,389,757.16(34) MHz and 652,386,593.2(5) MHz, respectively. The hyperfine coefficients for the$6s6p{(}^1{P}^{\circ <\#comment/>}){}^8{P}_{9/2}$state were found to be$\mathrm{A}(151)=-<\#comment/>228.84(2)\mathrm{M}\mathrm{H}\mathrm{z}$,$\mathrm{B}(151)=226.9(5)\mathrm{M}\mathrm{H}\mathrm{z}$and$\mathrm{A}(153)=-<\#comment/>101.87(6)\mathrm{M}\mathrm{H}\mathrm{z}$,$\mathrm{B}(153)=575.4(1.5)\mathrm{M}\mathrm{H}\mathrm{z}$, which all agree with previously published results except for A(153), which shows a small discrepancy. The isotope shift is found to be 3163.8(6) MHz, which also has a discrepancy with previously published results.

    

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4. [Ga 3+ 8 Sm 3+ 2 , Ga 3+ 8 Tb 3+ 2 ] Metallacrowns are Highly Promising Ratiometric Luminescent Molecular Nanothermometers Operating at Physiologically Relevant Temperatures

   https://doi.org/10.1002/chem.202003239  

   Salerno, Elvin V. ; Zeler, Justyna ; Eliseeva, Svetlana V. ; Hernández‐Rodríguez, Miguel A. ; Carneiro Neto, Albano N. ; Petoud, Stéphane ; Pecoraro, Vincent L. ; Carlos, Luís D. ( September 2020 , Chemistry – A European Journal)

   Nanothermometry is the study of temperature at the submicron scale with a broad range of potential applications, such as cellular studies or electronics. Molecular luminescent‐based nanothermometers offer a non‐contact means to record these temperatures with high spatial resolution and thermal sensitivity. A luminescent‐based molecular thermometer comprised of visible‐emitting Ga³⁺/Tb³⁺and Ga³⁺/Sm³⁺metallacrowns (MCs) achieved remarkable relative thermal sensitivity associated with very low temperature uncertainty ofS_r=1.9 % K⁻¹andδT<0.045 K, respectively, at 328 K, as an aqueous suspension of polystyrene nanobeads loaded with the corresponding MCs. To date, they are the ratiometric molecular nanothermometers offering the highest level of sensitivity in the physiologically relevant temperature range.

    

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5. Structure and Bonding in [Sb@In 8 Sb 12 ] 3− and [Sb@In 8 Sb 12 ] 5−

   https://doi.org/10.1002/anie.201904109  

   Liu, Chao ; Tkachenko, Nikolay V. ; Popov, Ivan A. ; Fedik, Nikita ; Min, Xue ; Xu, Cong-Qiao ; Li, Jun ; McGrady, John E. ; Boldyrev, Alexander I. ; Sun, Zhong-Ming ( June 2019 , Angewandte Chemie International Edition)