An–Imidophosphorane (An = U–Pu) Bond Covalency and Proton-Coupled Electron Transfer Thermodynamics Driven by Orbital Energy Matching

Chad Michael Studvick; Sourav Dey; Kaitlyn Engle; Julie E. Niklas; Jonah W. Sprosty; Henry Storms La Pierre; Ivan A. Popov

doi:10.1039/d6cp00281a

January 1, 2026Physical Chemistry Chemical Physics

An–Imidophosphorane (An = U–Pu) Bond Covalency and Proton-Coupled Electron Transfer Thermodynamics Driven by Orbital Energy Matching

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Key Points

This research aims to understand the covalency of bonds and the thermodynamics of proton-coupled electron transfer in actinide complexes.
Computational investigations of mid-actinide tetrahomoleptic complexes
Analysis of electron-donating imidophosphorane ligands
Examination of bond covalency and electron transfer dynamics
Identified key factors influencing bond covalency in U–Pu complexes
Demonstrated that orbital energy matching significantly affects thermodynamic behavior
Revealed insights into electron transfer mechanisms driven by ligand interactions

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Implication

Computational analysis reveals the thermodynamics of electron transfer in actinide complexes, suggesting new insights into bond properties.

Abstract

A series of mid-actinide (An = U–Pu) tetrahomoleptic complexes supported by highly electron-donating imidophosphorane ligands, NPC ([NPtBu(pyrr)2]−, where tBu = C(CH3)3; pyrr = pyrrolidinyl = N(C4H8)), are systematically investigated computationally...

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Studvick et al. (2026) studied this question.

synapsesocial.com/papers/6990113f2ccff479cfe57b4c https://doi.org/10.1039/d6cp00281a

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An–Imidophosphorane (An = U–Pu) Bond Covalency and Proton-Coupled Electron Transfer Thermodynamics Driven by Orbital Energy Matching

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Abstract

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An–Imidophosphorane (An = U–Pu) Bond Covalency and Proton-Coupled Electron Transfer Thermodynamics Driven by Orbital Energy Matching

Key Points

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