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1. Pyridinium 3-nitrobenzoate–3-nitrobenzoic acid (1/1)

   https://doi.org/10.1107/S2414314621005812  

   Howarth, Alexis; Barbosa, Tony J.; Zeller, Matthias; Hillesheim, Patrick C. (June 2021, IUCrData)

   null (Ed.)

   The crystal structure of the product of the neutralization reaction between 3-nitrobenzoic acid and pyridine is reported. The entities that crystallized are a pyridinium cation, a 3-nitrobenzoate anion and a 3-nitrobenzoic acid molecule in a 1:1:1 molar ratio, C 5 H 6 N + ·C 7 H 4 NO 4 − ·C 7 H 5 NO 4 . Distinct sets of hydrogen bonds link the pyridinium and benzoate ions (N—H...O) and the acid and benzoate moieties (O—H...O). The hydrogen bonding along with π–π stacking between the acid and benzoate moieties accounts for the long-range ordering of the crystal. 

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2. Structure and motifs of iron oxides from 1 to 3 TPa

   https://doi.org/10.1103/PhysRevMaterials.6.043602  

   Zheng, Feng; Sun, Yang; Wang, Renhai; Fang, Yimei; Zhang, Feng; Da, Bo; Wu, Shunqing; Wang, Cai-Zhuang; Wentzcovitch, Renata M.; Ho, Kai-Ming (April 2022, Physical Review Materials)
3. Photolysis of 3‐Azido‐3‐phenyl‐3 H ‐isobenzofuran‐1‐one at Ambient and Cryogenic Temperatures ^†

   https://doi.org/10.1111/php.13500  

   Thenna‐Hewa, Kosala; Sebastien, William; Lemen, Elaine M.; Karney, William L.; Abe, Manabu; Gudmundsdottir, Anna D. (August 2021, Photochemistry and Photobiology)

   Abstract Although alkyl azides are known to typically form imines under direct irradiation, the product formation mechanism remains ambiguous as some alkyl azides also yield the corresponding triplet alkylnitrenes at cryogenic temperatures. The photoreactivity of 3‐azido‐3‐phenyl‐3H‐isobenzofuran‐1‐one (1) was investigated in solution and in cryogenic matrices. Irradiation (λ = 254 nm) of azide 1 in acetonitrile yielded a mixture of imines 2 and 3. Monitoring of the reaction progress using UV‐Vis absorption spectroscopy revealed an isosbestic point at 210 nm, indicating that the reaction proceeded cleanly. Similar results were observed for the photoreactivity of azide 1 in a frozen 2‐methyltetrahydrofuran (mTHF) matrix. Irradiation of azide 1 in an argon matrix at 6 K resulted in the disappearance of its IR bands with the concurrent appearance of IR bands corresponding to imines 2 and 3. Thus, it was theorized that azide 1 forms imines 2 and 3 via a concerted mechanism from its singlet excited state or through singlet alkylnitrene¹1N, which does not intersystem cross to its triplet configuration. This proposal was supported by CASPT2 calculations on a model system, which suggested that the energy gap between the singlet and triplet configurations of alkylnitrene 1N is 33 kcal/mol, thus making intersystem crossing inefficient. 

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4. Dissolution of Complex Metal Oxides from First-Principles and Thermodynamics: Cation Removal from the (001) Surface of Li(Ni _1/3 Mn _1/3 Co _1/3 )O ₂

   https://doi.org/10.1021/acs.est.8b00054  

   Bennett, Joseph W.; Jones, Diamond; Huang, Xu; Hamers, Robert J.; Mason, Sara E. (April 2018, Environmental Science & Technology)
5. Spatial ergodicity of stochastic wave equations in dimensions 1, 2 and 3

   https://doi.org/10.1214/20-ECP361  

   Nualart, David; Zheng, Guangqu (January 2020, Electronic Communications in Probability)