Investigation of Supramolecular Self-Assembly in Sn(IV)-5,10,15,20-tetra(4-bromo-2,6-difluorophenyl) Porphyrins Mediated through Activated Sigma Hole DOI

Rohith Phaneendra Bandaru,

Anil Rajnath Singh,

Hatem M. Titi

и другие.

Crystal Growth & Design, Год журнала: 2024, Номер 24(21), С. 9011 - 9022

Опубликована: Окт. 10, 2024

The article presents the design, synthesis, characterization, and investigation of halogen-bonding interactions in a series six-coordinated Sn(IV) complexes based on 5,10,15,20-tetra(4-bromophenyl) porphyrin [Sn(IV)TBrPr] 5,10,15,20-tetra(4-bromo-2,6-difluoro phenyl) [Sn(IV)TBrFPr] with symmetrical axial linkers 3,5-dibromobenzoic acid (3,5-DiBrBA) 4-bromobenzoic (4-BrBA) nonsymmetrical linker 5-bromo nicotinic (5-BrNA). Four compounds, namely, Sn(5-BrNA)2(TBrPr) (1), Sn(5-BrNA)2(TBrFPr)·2DMF (2), Sn(3,5-DiBrBA)2(TBrFPr) (3), Sn(4-BrBA)2(TBrFPr) (4), were synthesized characterized by single-crystal X-ray crystallography. All compounds 1H NMR, UV–vis absorption, emission, scanning electron microscopy, cyclic voltammetry. Diverse supramolecular involving bromine fluorine atoms like Br···Br, Br···F, Br···π, F···F are successfully manifested our systems. analysis reveals that self-assembly compound 3 displays shortest type II Br···Br contact 3.401(3) Å realm assemblies, which leads to formation dimer. An interesting example Br···F 2.937(2) is found 4, facilitates 3D architecture well-defined hexagonal voids. contacts observed systems persuaded cooperative most electron-withdrawing skeleton. Electrostatic potential surface analyses show σ-hole increased 6.5 kcal atoms. Optical electrochemical studies detail electronic structure title under influence linkers, while theoretical conducted calculate highest occupied molecular orbital–least unoccupied orbital gap relate experimental values.

Язык: Английский

Investigation of Supramolecular Self-Assembly in Sn(IV)-5,10,15,20-tetra(4-bromo-2,6-difluorophenyl) Porphyrins Mediated through Activated Sigma Hole DOI

Rohith Phaneendra Bandaru,

Anil Rajnath Singh,

Hatem M. Titi

и другие.

Crystal Growth & Design, Год журнала: 2024, Номер 24(21), С. 9011 - 9022

Опубликована: Окт. 10, 2024

The article presents the design, synthesis, characterization, and investigation of halogen-bonding interactions in a series six-coordinated Sn(IV) complexes based on 5,10,15,20-tetra(4-bromophenyl) porphyrin [Sn(IV)TBrPr] 5,10,15,20-tetra(4-bromo-2,6-difluoro phenyl) [Sn(IV)TBrFPr] with symmetrical axial linkers 3,5-dibromobenzoic acid (3,5-DiBrBA) 4-bromobenzoic (4-BrBA) nonsymmetrical linker 5-bromo nicotinic (5-BrNA). Four compounds, namely, Sn(5-BrNA)2(TBrPr) (1), Sn(5-BrNA)2(TBrFPr)·2DMF (2), Sn(3,5-DiBrBA)2(TBrFPr) (3), Sn(4-BrBA)2(TBrFPr) (4), were synthesized characterized by single-crystal X-ray crystallography. All compounds 1H NMR, UV–vis absorption, emission, scanning electron microscopy, cyclic voltammetry. Diverse supramolecular involving bromine fluorine atoms like Br···Br, Br···F, Br···π, F···F are successfully manifested our systems. analysis reveals that self-assembly compound 3 displays shortest type II Br···Br contact 3.401(3) Å realm assemblies, which leads to formation dimer. An interesting example Br···F 2.937(2) is found 4, facilitates 3D architecture well-defined hexagonal voids. contacts observed systems persuaded cooperative most electron-withdrawing skeleton. Electrostatic potential surface analyses show σ-hole increased 6.5 kcal atoms. Optical electrochemical studies detail electronic structure title under influence linkers, while theoretical conducted calculate highest occupied molecular orbital–least unoccupied orbital gap relate experimental values.

Язык: Английский

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