Bromination of organic spacer impacts on the structural arrangement, phase transitions, and optical and electrical properties of a hybrid halide compound:[(CH3)3N(CH2)3Br]2PdBr4

Saadi, Mohamed; Dakhlaoui, Imen; Hajlaoui, Fadhel; Drissi, Nidhal; Zighrioui, Mustapha; Jomni, Fethi; Audebrand, Nathalie; Cordier, Marie; Karim, Karoui

doi:10.1039/d3nj04819e

New J. Chem.

2024

DOI: 10.1039/d3nj04819e

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Bromination of organic spacer impacts on the structural arrangement, phase transitions, and optical and electrical properties of a hybrid halide compound:[(CH₃)₃N(CH₂)₃Br]₂PdBr₄

Mohamed Saadi,

Imen Dakhlaoui,

Fadhel Hajlaoui

et al.

Abstract: Understanding the structure and arrangement of organic inorganic hybrid metal halides and their contribution to physical properties remains a challenging topic.

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Interactions Between [PdX₄]²⁻ (X=Cl, Br) Dianions in Presence of Counterions

Trzęsowska,

Wysokiński,

Hajlaoui

et al. 2024

ChemPhysChem

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The interaction between two square palladium (II) dianions PdX42‐ (X = Cl, Br) is evaluated by crystal study and analyzed by quantum chemical means. The arrangement within the crystal between each pair of PdX42‐ neighbors is suggestive of a Pd···X noncovalent bond, which is verified by a battery of computational protocols. While the potential between these two bare dianions is computed to be highly repulsive, the introduction of even just two counterions makes this interaction attractive, as does the presence of a constellation of point charges. It is concluded that there is indeed a stabilizing Pd···X bond, but it is incapable of overcoming the strong coulombic repulsive force between two dianions. While the QTAIM, NBO, and NCI tools can indicate the presence of a noncovalent bond, they are unable to distinguish an attractive from a repulsive interaction.

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Interactions Between [PdX₄]²⁻ (X=Cl, Br) Dianions in Presence of Counterions

Trzęsowska,

Wysokiński,

Hajlaoui

et al. 2024

ChemPhysChem

View full text Add to dashboard Cite

show abstract

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Bromination of organic spacer impacts on the structural arrangement, phase transitions, and optical and electrical properties of a hybrid halide compound:[(CH₃)₃N(CH₂)₃Br]₂PdBr₄

Abstract: Understanding the structure and arrangement of organic inorganic hybrid metal halides and their contribution to physical properties remains a challenging topic.

Cited by 1 publication

References 66 publications

Interactions Between [PdX₄]²⁻ (X=Cl, Br) Dianions in Presence of Counterions

Interactions Between [PdX₄]²⁻ (X=Cl, Br) Dianions in Presence of Counterions

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Bromination of organic spacer impacts on the structural arrangement, phase transitions, and optical and electrical properties of a hybrid halide compound:[(CH3)3N(CH2)3Br]2PdBr4

Abstract: Understanding the structure and arrangement of organic inorganic hybrid metal halides and their contribution to physical properties remains a challenging topic.

Cited by 1 publication

References 66 publications

Interactions Between [PdX4]2− (X=Cl, Br) Dianions in Presence of Counterions

Interactions Between [PdX4]2− (X=Cl, Br) Dianions in Presence of Counterions

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Bromination of organic spacer impacts on the structural arrangement, phase transitions, and optical and electrical properties of a hybrid halide compound:[(CH₃)₃N(CH₂)₃Br]₂PdBr₄

Interactions Between [PdX₄]²⁻ (X=Cl, Br) Dianions in Presence of Counterions

Interactions Between [PdX₄]²⁻ (X=Cl, Br) Dianions in Presence of Counterions