Pressure-Induced Spin Transition and Emergence of φ Bond in Actinide Sandwich Complexes AnIII(COT)2-/AnIV(COT)2 (An =U, Np, Pu)

Xiaocheng Xu; Chengliang Xiao

doi:10.1039/d6cp00460a

January 1, 2026Physical Chemistry Chemical Physics

Pressure-Induced Spin Transition and Emergence of φ Bond in Actinide Sandwich Complexes AnIII(COT)2-/AnIV(COT)2 (An =U, Np, Pu)

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Key Points

This research aims to investigate how pressure affects bonding properties in actinide sandwich complexes, particularly focusing on the formation of φ bonds.
Utilized relativistic density functional theory (DFT) calculations to study bonding properties under varying pressure conditions.
Examined actinide sandwich complexes of AnIII(COT)2 and AnIV(COT)2 with An being U, Np, and Pu.
Identified that pressure enhances spin transition in actinide compounds, leading to new bonding types.
Demonstrated the emergence of φ bonds due to increased metal-ligand orbital interactions under pressure.

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Implication

Reveals bonding changes in actinide complexes under pressure, suggesting new material properties.

Abstract

Pressure can modulate the bonding properties of actinide compounds, enabling the formation of ϕ-type bonds through pressure-enhanced metal-ligand orbital interactions. Using relativistic density functional theory (DFT) calculations combined with bonding...

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Xu et al. (2026) studied this question.

synapsesocial.com/papers/6a095c037880e6d24efe2011 https://doi.org/10.1039/d6cp00460a

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Pressure-Induced Spin Transition and Emergence of φ Bond in Actinide Sandwich Complexes AnIII(COT)2-/AnIV(COT)2 (An =U, Np, Pu)

Key Points

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Implication

Abstract

Discussion

Cite This Study

Pressure-Induced Spin Transition and Emergence of φ Bond in Actinide Sandwich Complexes AnIII(COT)2-/AnIV(COT)2 (An =U, Np, Pu)

Key Points

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Implication

Abstract

Discussion

Cite This Study

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