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1. Synthesis of Crystallographically Characterizable Bis(cyclopentadienyl) Sc(II) Complexes: (C 5 H 2 t Bu 3 ) 2 Sc and {[C 5 H 3 (SiMe 3 ) 2 ] 2 ScI} 1–

   https://doi.org/10.1021/jacs.3c11922  

   Queen, Joshua D. ; Anderson-Sanchez, Lauren M. ; Stennett, Cary R. ; Rajabi, Ahmadreza ; Ziller, Joseph W. ; Furche, Filipp ; Evans, William J. ( February 2024 , Journal of the American Chemical Society)

   The synthesis of previously unknown bis(cyclopentadienyl) complexes of the first transition metal, i.e., Sc(II) scandocene complexes, has been investigated using C5H2(tBu)3 (Cpttt), C5Me5 (Cp*), and C5H3(SiMe3)2 (Cp″) ligands. Cpttt 2ScI, 1, formed from ScI3 and KCpttt, can be reduced with potassium graphite (KC8) in hexanes to generate dark-red crystals of the first crystallographically characterizable bis(cyclopentadienyl) scandium(II) complex, Cpttt 2Sc, 2. Complex 2 has a 170.6° (ring centroid)-Sc-(ring centroid) angle and exhibits an eight-line EPR spectrum characteristic of Sc(II) with Aiso = 82.6 MHz (29.6 G). It sublimes at 200 °C at 10−4 Torr and has a melting point of 268−271 °C. Reductions of Cp*2ScI and Cp″2ScI under analogous conditions in hexanes did not provide new Sc(II) complexes, and reduction of Cp*2ScI in benzene formed the Sc(III) phenyl complex, Cp*2Sc(C6H5), 3, by C−H bond activation. However, in Et2O and toluene, reduction of Cp*2ScI at −78 °C gives a dark-red solution, 4, which displays an eight-line EPR pattern like that of 1, but it did not provide thermally stable crystals. Reduction of Cp″2ScI, in THF or Et2O at −35 °C in the presence of 2.2.2-cryptand, yields the green Sc(II) metallocene iodide complex, [K(crypt)][Cp″2ScI], 5, which was identified by X-ray crystallography and EPR spectroscopy and is thermally unstable. The analogous reaction of Cp*2ScI with KC8 and 18-crown-6 in Et2O gave the ligand redistribution product, [Cp*2Sc(18- crown-6-κ2O,O′)][Cp*2ScI2], 6, as the only crystalline product. Density functional theory 

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2. Impact of Sc 3+ -Modified Local Site Symmetries on Er 3+ Ion Upconversion Luminescence in Y 2 O 3 Nanoparticles

   https://doi.org/10.1021/acs.jpcc.2c00835  

   Wang, Yuming ; Wang, Xianli ; Mao, Yuanbing ; Dorman, James A. ( July 2022 , The Journal of Physical Chemistry C)
3. The Scandium(II) Carbonyl Complex (C 5 H 2 t Bu 3 ) 2 Sc(CO) and Its Isocyanide Analog (C 5 H 2 t Bu 3 ) 2 Sc(CNC 6 H 3 Me 2 -2,6)

   https://doi.org/10.1021/jacs.4c09021  

   Queen, Joshua D ; Goudzwaard, Quinn E ; Rajabi, Ahmadreza ; Ziller, Joseph W ; Furche, Filipp ; Evans, William J ( September 2024 , Journal of the American Chemical Society)

   Treatment of the scandium(II) metallocene Cpttt2Sc (Cpttt = C5H2tBu3) with CO or the isocyanide CNXyl (Xyl = C6H3Me2-2,6) yields the carbonyl complex Cpttt2Sc(CO), 1, or the isocyanide complex Cpttt2Sc(CNXyl), 2, which were identified by X-ray crystallography. Isotopic labeling with 13CO shows the CO stretch of 1 at 1875 cm−1 shifts to 1838 cm−1 in 1-13CO. The CN stretch in 2 is shifted to 1939 cm−1 compared to 2118 cm−1 for the free isocyanide. The 80.1 MHz (28.7 G) 45Sc hyperfine coupling in 1 and 74.7 MHz (26.8 G) in 2 are similar to the 82.6 MHz (29.6 G) coupling constant in Cpttt2Sc and indicate that 1 and 2 are Sc(II) complexes. A comprehensive analysis of the electronic structures of 1 and 2 using DFT calculations is reported. 

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4. CH 3 –X Reductive Elimination Reactivity of Pt IV Me Complexes Supported by a Sulfonated CNN Pincer Ligand (X = OH, CF 3 CO 2 , PhNMe 2 + )

   https://doi.org/10.1021/acs.organomet.9b00702  

   Ruan, Jiaheng ; Wang, Daoyong ; Vedernikov, Andrei N. ( December 2019 , Organometallics)
5. Dynamically Hidden Reaction Paths in the Reaction of CF 3 + + CO

   https://doi.org/10.1021/acsphyschemau.2c00012  

   Oda, Kohei ; Tsutsumi, Takuro ; Keshavamurthy, Srihari ; Furuya, Kenji ; Armentrout, P. B. ; Taketsugu, Tetsuya ( April 2022 , ACS Physical Chemistry Au)