Comparative investigation of Cu (II) complexes with dithiocarbazate: Structural design, theoretical calculation, and in vitro antitumor activity

CDQO Cavalcante, E Garcia, THA da Mota… - Journal of Inorganic …, 2022 - Elsevier
The present work reports the synthesis and investigation by semi-empirical Density
Functional Theory (DFT), physical chemistry, and spectroscopic methods of two …

Physico-Chemical Characterization, DFT Modeling and Biological Activities of a New Zn (II) Complex Containing Melamine as a Template

T Salah, N Mhadhbi, A Ben Ahmed, B Hamdi… - Crystals, 2023 - mdpi.com
Single crystals of a new organic–inorganic hybrid compound (C3H7N6) 2 [ZnCl4]· H2O was
synthesized and characterized by X-ray diffraction at room temperature, FT-IR and FT …

Supramolecular architectures in luminescent Zn (II) and Cd (II) complexes containing imidazole derivatives: Crystal structures, vibrational and thermal properties …

A Di Santo, GA Echeverría, OE Piro, H Pérez… - Journal of Molecular …, 2017 - Elsevier
Three novel zinc and cadmium complexes with 1-methylimidazole and 2-methylimidazole as
ligands, mono-nuclear dichloro-bis (1-methylimidazole) zinc (II) and dibromo-bis (2 …

[PDF][PDF] Path of organotin complexes: synthetic factors, mechanisms, and broad-spectrum biological influences

M Kumar, Z Abbas, P Siwach, J Sharma… - Journal of Advanced …, 2023 - academia.edu
The review of the literature demonstrated that the diverse properties of the organotin (IV)
attributed to the various moieties contained inside the molecule account for the functions …

[HTML][HTML] Structural, Hirshfeld surface and molecular docking studies of a new organotin (IV)-phosphoric triamide complex and an amidophosphoric acid ester …

M Khorram, A Tarahhomi, A van der Lee, G Excoffier - Heliyon, 2023 - cell.com
Phosphoramides and their complexes are attractive compounds due to their significant
inhibiting functionality in biological medicine. In this paper, a novel organotin (IV) …

Tunable hydrophilic modification of polyethylene terephthalate membrane via layer-by-layer polyethylenimine grafting

J Ma, L Zhen, H Yao, D Mo, Y Sun, Z Hu, J Liu… - Reactive and Functional …, 2025 - Elsevier
Hydrophilicity is an important property for membranes as it influences the application scope
and effectiveness of separation process, and various surface modification methods have …

Evaluation of structural, spectroscopic, bonding and electronic properties of some organotin (IV)-phosphoric triamide complexes by using help of DFT, QTAIM and …

A Tarahhomi - Computational and Theoretical Chemistry, 2021 - Elsevier
Different computational investigations by using help of DFT (density functional theory),
QTAIM (quantum theory of atom in molecule) and HS (Hirshfeld surface) approaches are …

New carbacylamidophosphates containing nicotinamide: Synthesis, crystallography and antibacterial activity

N Oroujzadeh, K Gholivand, NR Jamalabadi - Polyhedron, 2017 - Elsevier
Carbacylamidophosphates are important compounds with unique physicochemical
properties and many biological and chemical applications. Here, new derivatives of this …

Crystal structure, Hirshfeld surface analysis, vibrational properties, and electrical and dielectric studies of the bis (4-benzylpyridinium) tetrachlorocuprate (II)

K Azouzi, B Hamdi, R Zouari, A Ben Salah - Ionics, 2016 - Springer
The present paper undertakes the study of (C 12 H 12 N) 2 CuCl 4, which is a new hybrid
compound. It is synthesized and characterized by single-crystal X-ray diffraction, Hirshfeld …

A triorganotin (IV) cocrystal with pyridinic phosphoramide: crystal structure and DFT calculations

N Dorosti, S Nikpour, F Molaei, M Kubicki - Chemical Papers, 2021 - Springer
Herein, a two-component cocrystal [Ph 3 SnCl (4-PCAPh) 1] encompassing 4-PCAPh= N-
isonicotinyl, N′, N ″-bis (hexamethylenyl) phosphoric triamide and triphenyltin (IV) …