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1. Ligand Reorganization in the Coordination Sphere of a CCC-NHC Pincer Fe Complex and Transient Absorption Spectroscopic Characterization of [( Bu C i C i C Bu ) 2 Fe]I

   https://doi.org/10.1021/acs.organomet.3c00386  

   Mensah, Joshua ; Adiraju, Venkata K. ; Cope, James D. ; Lamb, Robert W. ; Li, Xiao X. ; Donnadieu, Bruno ; Rubtsov, Igor V. ; Webster, Charles Edwin ; Hollis, T. Keith ( February 2024 , Organometallics)

   Monoligated and bis-ligated CCC-NHC pincer Fe complexes with n-butyl substituents have been synthesized by the Zr metalation/transmetalation route. Both the direct metalation/transmetalation and transmetalation from the isolated (BuCiCiCBu)ZrNMe2Cl2, 3, yielded the octahedrally coordinated Fe(III) bis-ligated complex [(BuCiCiCBu)2Fe]Cl, 2a. Transmetalation from in situ and isolated (BuCiCiCBu)ZrCl3, 5, in the presence of excess TMSCl and 1 equiv of the Fe source yielded the monoligated (BuCiCiCBu)FeCl2, 4. Conditions that convert [(BuCiCiCBu)2Fe]+, 2, to (BuCiCiCBu)FeCl2, 4, complex have been found. Characterization included 1H NMR, UV−visible, femtosecond transient absorption spectroscopies, TDDFT computations, and mass spectroscopy along with X-ray crystallographic structure determinations. 

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2. Methane C–H Activation by [Cu 2 O] 2+ and [Cu 3 O 3 ] 2+ in Copper-Exchanged Zeolites: Computational Analysis of Redox Chemistry and X-ray Absorption Spectroscopy

   https://doi.org/10.1021/acs.inorgchem.0c03693  

   Suleiman, Olabisi ; Panthi, Dipak ; Adeyiga, Olajumoke ; Odoh, Samuel O. ( May 2021 , Inorganic Chemistry)

   null (Ed.)
3. The spin-forbidden a 4 Σ − – X 2 Π 1/2 transition of GeH detected in absorption using intracavity laser spectroscopy

   https://doi.org/10.1063/1.5017958  

   Harms, Jack C. ; O’Brien, Leah C. ; O’Brien, James J. ( May 2018 , The Journal of Chemical Physics)
4. [Ru II (tpy)(bpy)Cl] + -Catalyzed reduction of carbon dioxide. Mechanistic insights by carbon-13 kinetic isotope effects

   https://doi.org/10.1039/C8CC03009J  

   Schneider, T. W. ; Hren, M. T. ; Ertem, M. Z. ; Angeles-Boza, A. M. ( January 2018 , Chemical Communications)

   In this work, we examine the use of competitive 13 C kinetic isotope effects ( 13 C KIEs) on CO 2 reduction reactions that produce CO and formic acid as a means to formulate reaction mechanisms. The findings reported here mark a further advancement in the combined 13 C KIE measurements and theoretical calculations methodology for probing CO 2 conversion reactions. 

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5. Evidence for a lowest energy 3 MLCT excited state in [Fe(tpy)(CN) 3 ] −

   https://doi.org/10.1039/d1cc01090e  

   Vittardi, Sebastian B. ; Magar, Rajani Thapa ; Schrage, Briana R. ; Ziegler, Christopher J. ; Jakubikova, Elena ; Rack, Jeffrey J. ( May 2021 , Chemical Communications)

   null (Ed.)

   Transient absorption data of [Fe II (tpy)(CN) 3 ] − reveals spectroscopic signatures indicative of 3 MLCT with a ∼10 ps kinetic component. These data are supported by DFT and TD-DFT calculations, which show that excited state ordering is responsive to the number of cyanide ligands on the complex. 

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