Fascinating inclusion of metal–organic complex moieties in dinuclear Mn(II) and Zn(II) compounds involving pyridinedicarboxylates and phenanthroline: Experimental and theoretical studies

Bhattacharyya, Manjit K.; Banik, Subham; Baishya, Trishnajyoti; Sharma, Pranay; Dutta, Kamal K.; Gomila, Rosa M.; Barcelo-Oliver, Miquel; Frontera, Antonio

doi:10.1016/j.poly.2024.116947

Polyhedron

2024

DOI: 10.1016/j.poly.2024.116947

|View full text |Cite

Fascinating inclusion of metal–organic complex moieties in dinuclear Mn(II) and Zn(II) compounds involving pyridinedicarboxylates and phenanthroline: Experimental and theoretical studies

Manjit K. Bhattacharyya,

Subham Banik,

Trishnajyoti Baishya

et al.

Help me understand this report

Search citation statements

Order By: Relevance

Paper Sections

Select...

Citation Types

Supporting

Mentioning

Contrasting

Year Published

2024

Publication Types

Select...

Article2

Relationship

Self Cite0

Independent2

Authors

Journals

Cited by 2 publications

References 133 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

Unconventional Dual Inclusion of Metal-organic Guests in Self-assembled Anion-Water Hosts and Infinite ADS-Water Assemblies in Ni(II) and Zn(II) Multi-component Compounds: Antiproliferative Evaluation and Theoretical Studies

Boro,

Dutta,

Gomila

et al. 2024

Journal of Molecular Structure

View full text Add to dashboard Cite

Unconventional Dual Inclusion of Metal-organic Guests in Self-assembled Anion-Water Hosts and Infinite ADS-Water Assemblies in Ni(II) and Zn(II) Multi-component Compounds: Antiproliferative Evaluation and Theoretical Studies

Boro,

Dutta,

Gomila

et al. 2024

Journal of Molecular Structure

View full text Add to dashboard Cite

Unusual Metal–organic Multicomponent Ni(II) and Mononuclear Zn(II) Compounds Involving Pyridine dicarboxylates: Supramolecular Assemblies and Theoretical Studies

Dutta,

Sharma,

Banik

et al. 2024

Inorganics

View full text Add to dashboard Cite

In the present work, we reported the synthesis and characterization [single crystal X-ray diffraction technique, spectroscopic, etc.] of two new Ni(II) and Zn(II) coordination compounds, viz. [Ni(2,6-PDC)2]2[Ni(en)2(H2O)2]2[Ni(en)(H2O)4]·4H2O (1) and [Zn(2,6-PDC)(Hdmpz)2] (2) (where 2,6-PDC = 2,6-pyridinedicarboxylate, en = ethylene-1,2-diamine, and Hdmpz = 3,5-dimethyl pyrazole). Compound 1 is found to crystallize as a multicomponent Ni(II) compound with five discrete complex moieties, whereas compound 2 is isolated as a mononuclear Zn(II) compound. A deep analysis of the crystal structure of 1 unfolds unusual dual enclathration of guest complex cationic moieties within the supramolecular host cavity stabilized by anion–π, π-stacking, N–H⋯O, C–H⋯O, and O–H⋯O hydrogen bonding interactions. Again, the crystal structure of compound 2 is stabilized by the presence of unconventional C–H⋯π(chelate ring) interactions along with C–H⋯O, C–H⋯N hydrogen bonding, π-stacking, and C–H⋯π(pyridyl) interactions. These non-covalent interactions were further studied theoretically using density functional theory (DFT) calculations, molecular electrostatic potential (MEP) surfaces, non-covalent interaction (NCI) plot index, and quantum theory of atoms in molecules (QTAIM) computational tools. The computational study displays that π-stacking or H bonds greatly tune the directionality of compound 1, although non-directional electrostatic forces dominate energetically. For compound 2, a combined QTAIM/NCI plot analysis confirms the presence of unconventional C–H⋯π(chelate ring) interactions along with other weak interactions obtained from the crystal structure analysis. Further, the individual energy contributions of these weak yet significant non-covalent interactions have also been determined computationally.

show abstract

scite is a Brooklyn-based organization that helps researchers better discover and understand research articles through Smart Citations–citations that display the context of the citation and describe whether the article provides supporting or contrasting evidence. scite is used by students and researchers from around the world and is funded in part by the National Science Foundation and the National Institute on Drug Abuse of the National Institutes of Health.

Contact Info

customersupport@researchsolutions.com

10624 S. Eastern Ave., Ste. A-614

Henderson, NV 89052, USA

This site is protected by reCAPTCHA and the Google Privacy Policy and Terms of Service apply.

Blog Terms and Conditions API Terms Privacy Policy Contact Cookie Preferences Do Not Sell or Share My Personal Information

Made with 💙 for researchers

Part of the Research Solutions Family.

Fascinating inclusion of metal–organic complex moieties in dinuclear Mn(II) and Zn(II) compounds involving pyridinedicarboxylates and phenanthroline: Experimental and theoretical studies

Cited by 2 publications

References 133 publications

Unconventional Dual Inclusion of Metal-organic Guests in Self-assembled Anion-Water Hosts and Infinite ADS-Water Assemblies in Ni(II) and Zn(II) Multi-component Compounds: Antiproliferative Evaluation and Theoretical Studies

Unconventional Dual Inclusion of Metal-organic Guests in Self-assembled Anion-Water Hosts and Infinite ADS-Water Assemblies in Ni(II) and Zn(II) Multi-component Compounds: Antiproliferative Evaluation and Theoretical Studies

Unusual Metal–organic Multicomponent Ni(II) and Mononuclear Zn(II) Compounds Involving Pyridine dicarboxylates: Supramolecular Assemblies and Theoretical Studies

Contact Info

Product

Resources

About