Planar π‒π stacking interactions stabilized 3D structure of a dimeric Zn(II) complex: Crystal structure, DFT calculations, and anti-Alzheimer and anti-Parkinson potentials
Yazarlar (9)
Swah Mohd. Nashre-Ul-Islam
Mangaldai College, Hindistan
Mangaldai College, Hindistan
Kamala Kanta Borah
Mangaldai College, Hindistan
Mangaldai College, Hindistan
Doç. Dr. Füreya Elif ÖZTÜRKKAN Kafkas Üniversitesi, Türkiye
Muhammad Asam Raza
University Of Gujrat, Pakistan
University Of Gujrat, Pakistan
Adnan Ashraf University Of Lahore, Pakistan
Peter A. Sidhom
Faculty Of Pharmacy, Mısır
Faculty Of Pharmacy, Mısır
Mohamed A. El-Tayeb
College Of Sciences, Suudi Arabistan
College Of Sciences, Suudi Arabistan
Mahmoud A.A. Ibrahim
Faculty Of Science, Mısır
Faculty Of Science, Mısır
Mai M. Rabee
Faculty Of Science, Mısır
Faculty Of Science, Mısır
| Makale Türü | Özgün Makale (SSCI, AHCI, SCI, SCI-Exp dergilerinde yayınlanan tam makale) | ||
| Dergi Adı | Journal of Molecular Structure (Q2) | ||
| Dergi ISSN | 0022-2860 Dergi Bilgileri (2025) | ||
| Dergi Tarandığı Indeksler | SCI-Expanded | ||
| Makale Dili | Türkçe | Basım Tarihi | 02-2025 |
| Cilt / Sayı / Sayfa | 1323 / 1 / 140746–0 | DOI | 10.1016/j.molstruc.2024.140746 |
| Makale Linki | https://doi.org/10.1016/j.molstruc.2024.140746 | ||
| UAK Araştırma Alanları |
Anorganik Kimya
Spektroskopi
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| Özet |
| A new Zn(II) dimeric coordination complex viz. [Zn2(2-ClB)4(4-CNpy)2] (1), [where 2-ClB = 2-chlorobenzoate and 4-CNpy = 4-cyanopyridine] was synthesized at room temperature and characterized by elemental analyses, electronic spectroscopy, FT-IR spectroscopy, thermal analysis (TGA/DTG) and single crystal X-ray diffraction. Neighboring molecules of 1 self-assembled to give a 1D chain that interconnects through C−H∙∙∙O interactions to provide a layered structure. Accordingly, these layers stack perpendicularly through C−H∙∙∙Cl interactions, generating a 3D architecture of 1. Solid-state assembly stabilization was investigated through Hirshfeld surface (HS) analysis. Non-covalent interactions within the studied complex were investigated in the gas phase using density functional theory (DFT) calculations, including molecular electrostatic potential (MEP), frontier molecular orbitals (FMOs), quantum theory of … |
| Anahtar Kelimeler |
| 3D architecture | Hirshfeld surface analysis | Molecular docking | Theoretical study | Zn(II) dimeric complex |
Science Direct
Planar π‒π stacking interactions stabilized 3D structure of a dimeric Zn(II) complex: Crystal structure, DFT calculations, and anti-Alzheimer and anti-Parkinson potentials
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| Atıf Sayıları | |
| Web of Science | 2 |
| Scopus | 3 |
| Google Scholar | 4 |