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Updated: Feb 17, 2026

Thermochemical Studies of NiII and ZnII Ternary Complexes Using Ion Mobility-Mass Spectrometry
Published on: June 8, 2022
Thermodynamics of hydrogen atom transfer to a high-valent iron imido complex
Ismael Nieto1, Feizhi Ding, Ranko P Bontchev
1Department of Chemistry and Biochemistry, New Mexico State University, Las Cruces New Mexico 88003, USA.
Abstract:
Thermodynamic investigations relevant to hydrogen atom transfer by the high-valent iron imido complex [LMesFe[triple bond]NAd]OTf have been undertaken. The complex is found to be weakly oxidizing by cyclic voltammetry (E1/2 = -0.98 V vs Cp2Fe+/Cp2Fe in MeCN). A combination of experimental and computational studies has been used to determine the acidity of LMesFe-N(H)Ad+ (pKa = 37 in MeCN), allowing the N-H BDFE (88(5) kcal/mol) to be calculated from a thermodynamic cycle. Consistent with this value, [LMesFe[triple bond]NAd]OTf reacts with 9,10-dihydroanthracene (C-H BDE = 78(1) kcal/mol) to form anthracene.
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