Structural and luminescent properties of a new 1D Cadmium(II) coordination polymer: A combined effort with experiment &amp; theory

De, Abhranil; Sahu, Abhiram; Paul, Suvendu; Joshi, Mayank; Choudhury, Angshuman Roy; Biswas, Bhaskar

doi:10.1016/j.molstruc.2018.04.081

Cited by 16 publications

(5 citation statements)

References 45 publications

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“…The emission wavelength of Pb(II) polymer at solid state was found as 370 nm (Figure 4). Ligand-to-metal charge transfer (LMCT) may account on this nature of emission [30][31][32][33][34][35]. Previous scientific literature on the Pb(II) polymers also agree with our observation [13].…”

Section: Fluorescence Properties Of the Pb(ii) Polymer In Solid Statesupporting

confidence: 90%

Synthesis, supramolecular architecture and fluorescence property of a mixed ligand 1D Pb(II) coordination polymer

2019

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A one dimensional (1D) lead(II) coordination polymer, [Pb(Phen)(NO3)(OAC)(H2O)]n (1) (Phen = 1,10-Phenanthroline; OAc = Acetate) was isolated in crystalline phase and characterized through different analytical techniques. Single crystal X-ray structural analysis of compound 1 revealed that the Pb(II) polymer crystallized in a monoclinic system with P21/c space group. Pb2+ ion adopted a highly distorted octahedral geometry having O3 (water) and O5 (nitrate) at axial positions (∠O3-Pb1-O5 of 145.02°) and acetate oxygen (O4), phenanthroine nitrogens (N3, N4) and oxygen (O2) atom from bridging nitrate made a distorted square plane. This Pb(II) polymer exhibited good fluorescence property in solid state. The steric arrangement of distorted square plane around Pb(II) ion by Phen, acetate and bridging nitrate ion makes a huge gap around Pb(II) ion where a stereo-active lone pair of electrons may possibly be occupied.

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Section: Fluorescence Properties Of the Pb(ii) Polymer In Solid Statesupporting

confidence: 90%

Synthesis, supramolecular architecture and fluorescence property of a mixed ligand 1D Pb(II) coordination polymer

2019

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“…In addition, d 10 metal ions, having zero crystal field stabilization energy, implies weak coordination bonds and allows the reorganization of the ligands resulting in highly ordered arrays. Concretely, numerous Zn(II) and Cd(II) complexes have been synthesised yielding monomeric [40,41], dimeric [42,43] or polymeric [44,45] species such as [Zn(2-py-in)2(THF)] [40] (2-py-in = 2-(2-pyridyl)indole, THF = tetrahydrofuran), [Zn(µ-pz)(pzH)(O2CCH2CH3)]2 [42] (pzH = pyrazole) or [Cd(phen)(µ-NO3)2(H2O)]n [45] (phen = 1,10-phenantroline). Zn(II) and Cd(II) ions can adopt different coordination geometries from tetrahedral to octahedral, being the tetrahedral the most common for Zn(II) ions [46] and the octahedral for Cd(II) ions [47], mainly for their M(II) ionic radius.…”

Section: Introductionmentioning

confidence: 99%

Exploring the reactivity of α-Acetamidocinnamic acid and 4-Phenylpyridine with Zn(II) and Cd(II)

Ejarque

Sánchez-Férez

Calvet

et al. 2020

Inorganica Chimica Acta

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“…The structural characterization of L1O and L1P was also justified with a detailed quantum chemical computation using the Gaussian 09W program suite [40] without considering any symmetrical restrictions. The molecular structures of L1O and L1P were optimized in a vacuum adopting the B3LYP theoretical model and 6-311G basis set [41,42].…”

Section: Computational Analysismentioning

confidence: 99%

Synthesis and structural depiction of the isomeric benzimidazole pair and its in-silico anti-SARS-CoV-2 activities

Debnath,

Mahato,

et al. 2024

Eur J Chem

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The present work presents a straightforward synthesis, spectroscopic and structural depiction, and in silico anti-SARS-CoV-2 activity of an isomeric monosubstituted benzimidazole pair, 2-(1H-benzo[d]imidazol-2-yl)-6-methoxyphenol (L1O) and 4-(1H-benzo[d]imidazol-2-yl)-2-methoxyphenol (L1P). The derivatives were synthesized by a coupling of aromatic aldehydes and o-phenylenediamine in ethanol under reflux. Different spectroscopic methods and X-ray structural analysis were employed to characterize the compounds. The crystal structure of L1O reveals that the o-vanillin substituted benzimidazole compound crystallizes in a monoclinic system and adopts a planar geometry. In silico anti-SARS-CoV-2 proficiencies of synthetic derivatives were evaluated against the main protease (Mpro) and nonstructural proteins (nsp2 and nsp7) of SARS-CoV-2. Molecular docking reveals the binding scores for the L1O-Mpro, L1O-nsp2 and L1O-nsp7 complexes as -11.31, -6.06 and -8.13 kcal/mol, respectively, while the binding scores for the L1P-Mpro, L1P-nsp2 and L1P-nsp7 complexes as -10.62, -5.09 and -6.91 kcal/mol, respectively, attributing the excellent conformational stability for both the isomeric benzimidazole derivatives.

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Structural and luminescent properties of a new 1D Cadmium(II) coordination polymer: A combined effort with experiment & theory

Cited by 16 publications

References 45 publications

Synthesis, supramolecular architecture and fluorescence property of a mixed ligand 1D Pb(II) coordination polymer

Synthesis, supramolecular architecture and fluorescence property of a mixed ligand 1D Pb(II) coordination polymer

Exploring the reactivity of α-Acetamidocinnamic acid and 4-Phenylpyridine with Zn(II) and Cd(II)

Synthesis and structural depiction of the isomeric benzimidazole pair and its in-silico anti-SARS-CoV-2 activities

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