Syntheses, Crystal Structures and Properties of Four Unsymmetric Single-wing Butterfly-shaped Platinum(II) Bis-alkynyl Complexes with Tunable Emissive Colors

Journal of Molecular Structure, Journal Year: 2025, Volume and Issue: unknown, P. 141983 - 141983

Published: March 1, 2025

Language: Английский

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

Inorganics, Journal Year: 2024, Volume and Issue: 12(10), P. 267 - 267

Published: Oct. 14, 2024

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

Language: Английский

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Three Cu^I-Terpyridyl Coordination Polymers Regulated by π-Conjugated Groups and SCN^– Anions for Organic Dye Photodegradation

Crystal Growth & Design, Journal Year: 2024, Volume and Issue: 24(22), P. 9527 - 9537

Published: Oct. 30, 2024

Developing novel materials for organic dye photodegradation is of great significance in wastewater treatment. Three CuI-terpyridyl coordination polymers (CPs) [Cu2(L1)(SCN)2]n (1), [Cu3(L2)(SCN)3]n (2), and [Cu2(L3)(SCN)2]n (3) (L1 = 4-(naphthalen-1-yl)-2,6-di(pyridin-4-yl)pyridine, L2 4-(anthracen-1-yl)-2,6-di(pyridin-4-yl)pyridine, L3 4-(pyren-3-yl)-2,6-di(pyridin-4-yl)pyridine), have been solvothermally synthesized exhibit two-dimensional structures extended by CuI centers, SCN–, anions, terpyridyl ligands with different π-conjugated groups. Complexes 1–3 can decompose methylene blue (MB), Rhodamine B (RhB), methyl orange (MO) rates ranging from 44.4 to 96.8% 120 min. Owing the more positive valence band potential lower gap regulated Cu(I) d-electrons pi-electrons ligands, complex 2 exhibits highest photocatalytic activity order > 1 3 displays varied efficiency other dyes (Janus green (JGB) crystal violet (CV) 70.4 65.7% min, respectively). The degradation products mechanism MB proposed liquid chromatography–mass spectrometry (LC-MS) radical quenching experiments. These findings present an effective strategy designing synthesizing CPs increasing aromatic rings groups center numbers, which may exert important impacts

Language: Английский

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Molecular engineering to design high-performance AIEgens: optical properties, LED devices and water detection

Journal of Molecular Structure, Journal Year: 2024, Volume and Issue: unknown, P. 140779 - 140779

Published: Nov. 1, 2024

Language: Английский

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