Synthesis and physicochemical characterization of two lead(II) complexes with O-, N-donor ligands. Lone pair functionality and crystal structure

Masternak, Joanna; Barszcz, Barbara; Hodorowicz, Maciej; Khavryuchenko, Oleksiy V.; Majka, Alina

doi:10.1016/j.saa.2014.07.084

Cited by 14 publications

(14 citation statements)

References 40 publications

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“…The optimized electronic structures of Pb 2+ carboxylate complexes (1)(2)(3)(4) are shown in Figure 3. The mono Pb 2+ with three methylcarboxylates (1) and three ferrocenylcarboxylates (2) show the three coordination bonding pattern.…”

Section: Structural and Bonding Features Of Pb 2+ Systemsmentioning

confidence: 99%

“…The selected geometrical parameters of Pb 2+ carboxylate complexes (5, 6) are compared with experimentally observed polymeric Pb 2+ -ferrocenylcarboxylates system and are listed in the Table S1. The atomic point charges of heteroatoms involved in coordination mode of Pb 2+ -carboxylate complexes (1)(2)(3)(4)(5)(6) are obtained by NPA and are listed in Table S2.…”

Section: Structural and Bonding Features Of Pb 2+ Systemsmentioning

confidence: 99%

“…The effect of lone pair electrons in structural arrangement of ligands in coordination mode of Pb 2+ complexes are investigated systematically by considering the two different models varying the size of ligands as discussed earlier. The theoretical analysis of Pb 2+ carboxylate complexes (1)(2)(3)(4)(5)(6) shows that the lone pair electrons in Pb 2+ dictate the structural organization and coordination mode of Pb 2+ carboxylates to only Hemi-directed arrangement instead of Holo-directed. The Hemi-directed geometries of Pb 2+ carboxylates (1-6) are shown in Figure 5 thus it reveals the effect of Pb 2+ lone pair electrons (6S 2 ) in the investigated systems.…”

Section: Lone Pair Induced Hemi-directed Geometriesmentioning

confidence: 99%

“…The exploring speciation of Pb 2+ gains the special interest from chemists for understanding its coordination chemistry and structural effects . The variation in coordination properties of Pb 2+ depends on the size of the ligands and the nature of donor atoms thus it dictates the structural arrangements in the entire globe of metal–ligand complex systems.…”

Section: Introductionmentioning

confidence: 99%

“…The exploring speciation of Pb 2+ gains the special interest from chemists for understanding its coordination chemistry and structural effects. [1][2][3][4][5][6][7][8][9][10][11][12] The variation in coordination properties of Pb 2+ depends on the size of the ligands and the nature of donor atoms thus it dictates the structural arrangements in the entire globe of metal-ligand complex systems. In general, the distribution of coordination bonds to bulky ligands would follow the structural rearrangements to avoid the steric repulsion between them and occupied entire globe.…”

Section: Introductionmentioning

confidence: 99%

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Directionality of Pb²⁺ lone pair electrons dictated hemi‐directed coordination mode of methyl‐ and ferrocenylcarboxylate complexes

Thamim

Senthilkumar

Job

et al. 2020

Applied Organom Chemis

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The experimentally observed hemi‐directed coordination mode in 1D polymeric Pb2+ ferrocenylcarboxylate system is examined computationally for gaining better insights on the structure of polymeric systems. By considering the different size of the ligands such as methylcarboxylate (model system) and ferrocenylcarboxylates (real system), the coordination mode is systematically explored in the complexes 1–6. As expected due to the possibility of free rotation in the methylcarboxylate systems in solution, it may follow holo‐directed geometrical arrangements but interestingly, it shows only hemi‐directed geometry as observed in the experimental studies on ferrocenylcarboxylate system (N. Palanisami et al. Science of Advanced Materials, 2014, 6, 2364). The present computational studies predict that the lone pair electrons in Pb2+ play the dictating role for formation of hemi‐directed coordination mode in methylcarboxylates as well as in ferrocenylcarboxylates. The directionality of the lone pair electrons makes the remarkable differences in the structural arrangements. Notable difference observed is that the methylcarboxylate shows the linear fashion of hemi‐directed coordination whereas ferrocenylcarboxylate shows the zig‐zag fashion of hemi‐directed coordination. The quantitative and qualitative characteristics of lone pair electrons in reported systems are assessed through NBO analysis thus it shows the s‐LP character occupancy in each case varies from 96% to 93% which is the strong evidence for the availability of lone pair electrons in Pb2+ carboxylate systems. Further, frontier molecular orbital analysis, vibrational modes and hydrogen bonding pattern are explored in the complexes 1–6.

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Section: Structural and Bonding Features Of Pb 2+ Systemsmentioning

confidence: 99%

Section: Structural and Bonding Features Of Pb 2+ Systemsmentioning

confidence: 99%

Section: Lone Pair Induced Hemi-directed Geometriesmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

See 3 more Smart Citations

Directionality of Pb²⁺ lone pair electrons dictated hemi‐directed coordination mode of methyl‐ and ferrocenylcarboxylate complexes

Thamim

Senthilkumar

Job

et al. 2020

Applied Organom Chemis

View full text Add to dashboard Cite

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Structural insights into coordination polymers based on 6s2 Pb(II) and Bi(III) centres connected via heteroaromatic carboxylate linkers and their potential applications

Barszcz

Masternak

Kowalik

2021

Coordination Chemistry Reviews

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Lead(II) coordination polymers with imidazole-4- and pyrazole-3-carboxylate isomeric linkers: Structural diversity and luminescence properties

Kowalik

Masternak

Kazimierczuk

et al. 2018

Journal of Solid State Chemistry

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Synthesis and physicochemical characterization of two lead(II) complexes with O-, N-donor ligands. Lone pair functionality and crystal structure

Cited by 14 publications

References 40 publications

Directionality of Pb²⁺ lone pair electrons dictated hemi‐directed coordination mode of methyl‐ and ferrocenylcarboxylate complexes

Directionality of Pb²⁺ lone pair electrons dictated hemi‐directed coordination mode of methyl‐ and ferrocenylcarboxylate complexes

Structural insights into coordination polymers based on 6s2 Pb(II) and Bi(III) centres connected via heteroaromatic carboxylate linkers and their potential applications

Lead(II) coordination polymers with imidazole-4- and pyrazole-3-carboxylate isomeric linkers: Structural diversity and luminescence properties

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Synthesis and physicochemical characterization of two lead(II) complexes with O-, N-donor ligands. Lone pair functionality and crystal structure

Cited by 14 publications

References 40 publications

Directionality of Pb2+ lone pair electrons dictated hemi‐directed coordination mode of methyl‐ and ferrocenylcarboxylate complexes

Directionality of Pb2+ lone pair electrons dictated hemi‐directed coordination mode of methyl‐ and ferrocenylcarboxylate complexes

Structural insights into coordination polymers based on 6s2 Pb(II) and Bi(III) centres connected via heteroaromatic carboxylate linkers and their potential applications

Lead(II) coordination polymers with imidazole-4- and pyrazole-3-carboxylate isomeric linkers: Structural diversity and luminescence properties

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Product

Resources

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Directionality of Pb²⁺ lone pair electrons dictated hemi‐directed coordination mode of methyl‐ and ferrocenylcarboxylate complexes

Directionality of Pb²⁺ lone pair electrons dictated hemi‐directed coordination mode of methyl‐ and ferrocenylcarboxylate complexes