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This paper describes the synthesis of a new acetylene‐bridged triphosphine, ((phenylphosphanediyl)bis‐(ethyne‐2,1‐diyl))bis(diphenylphosphane) [PhP{C≡CPPh2}2] (2) and its coordination complexes of RuII, RhIII, CuI, PdII and PtII. The reaction of diethynylphenylphosphine [PhP{C≡CH}2] (1) with two equivalents of LiHMDS followed by the addition of PPh2Cl resulted in 2. Treatment of 2 with [Ru(η6‐p‐cymene)Cl2]2 and [RhCp*Cl2]2 in 1 : 1.5 molar ratios produced trinuclear complexes [{Ru(η6‐p‐cymene)Cl2}3{μ3‐PPh(C≡CPPh2)2}] (3) and [(RhCp*Cl2)3{μ3‐PPh(C≡CPPh2)2}] (4). The molecular structure of 3 was confirmed by single crystal X‐ray analysis. Treatment of 2 with M(COD)Cl2 (M=Pd, Pt) in 2 : 3 ratio afforded open book type complexes [(MCl2)3{μ3‐PPh(C≡CPPh2)}2] (5 M=Pd, 6 M=Pt). The reaction of 2 with CuI in 1 : 2 ratio afforded 1‐D coordination polymer [{Cu2(μ2‐I)2(CH3CN)}{PPh(C≡CPPh2)2}3{CuI}2] (7) containing [(CuI)2{μ2‐(P−C≡C−P)3}] cylindrical units. [ABSTRACT FROM AUTHOR]

In this paper, two novel Cu(II) complexes [CuL(S‐1‐amino‐2‐propanol)] (R1) and [CuL(S‐2‐amino‐1‐propanol)] (R2) have been synthesized and characterized using Fourier transform infrared (FT‐IR), thermogravimetric analysis (TGA), high‐resolution mass spectrometry (HR‐MS), scanning electron microscopy (SEM) and single crystal X‐ray diffraction (SCXRD) technique. The single‐crystal XRD analyses show that compounds R1 and R2 crystallized in triclinic and monoclinic crystal systems with P‐1 and P21 space groups, respectively. The τ5 parameter values of R1 and R2 confirmed distorted square pyramidal geometry around Cu(II) centre. The compounds R1 and R2 possess 2D polymeric chains with (4,4)IIIa and 2C1 topology, respectively. The non‐covalent interactions and electrostatic properties were investigated using Hirshfeld surface analysis and density functional theory (DFT). DFT calculations revealed higher stability of R1 over R2. The presence of strong hyper conjugative interactions in carbon–carbon and carbon–nitrogen bonds has been confirmed by natural bond orbital (NBO) analysis. Time‐dependent (TD)‐DFT calculations were also performed to determine the excited state properties. Based on theoretical calculations, the simulated spectra showed absorption maxima at 506 and 743 nm for both complexes. Antimicrobial assays revealed that R1 is significantly antimicrobial against Pseudomonas aeruginosa at 512 and 256 μg/mL for Staphylococcus aureus, correspondingly. Serum binding studies of R1 confirm the existence of instinctive bonding interactions due to negative values on account of ∆G, ∆S and ∆H obtained from thermodynamics studies. In silico molecular dynamics and docking approaches have been used to validate the experimental findings of anti‐microbial assay and serum binding studies. A high dock score for R1 over R2 revealed the high binding energy of the former with bacterial protein. It was found that the protein‐ligand complex remained stable throughout the dynamic simulation process, and substantial interactions between R1 and bovine serum albumin were observed. [ABSTRACT FROM AUTHOR]

This paper describes the synthesis and structural characterization of two new one-dimensional coordination polymers involving 1,3-bis(4-pyridyl)propane ligand named {(μ-NCS)2[Cu(bpp)] ·dmf} n ( 1) and {[Cu(mebpy)(bpp)(dmso)](ClO4)2 ·dmso} n ( 2) (bpp = 1,3-bis(4-pyridyl)propane and mebpy = 4,4'-dimethyl-2,2'-bipyridine). These compounds were characterized by means of elemental analysis, thermal analysis (TG/DTA), vibrational spectroscopy (IR and Raman) and had their structures determined by single-crystal X-ray diffraction analysis. Compound 1 consists of CuN4 coordination spheres with bpp ligands in the unusual GG conformation coordinated in bridges between CuII centers to form a wavelike 1-D coordination polymer. On the other hand, in compound 2 the bpp ligand adopts the TT conformation in bridging mode extending the 1D cationic polymeric chain. [ABSTRACT FROM AUTHOR]

Electrons communicate with each other via the “magpie bridge” made by secondary forces. A series of conjugation ‐ interrupted dipyridyl ‐ linked Te−Fe−Cu carbonyl cluster ‐ incorporated polymers have been synthesized by liquid ‐ assisted grinding. These polymers exhibit surprising semiconducting characteristics with ultra ‐ narrow bandgaps and high conductivities, attributed to the through ‐ space electron transport via non ‐ classical C−H⋅⋅⋅O(carbonyl) hydrogen bonds and aromatic C−H⋅⋅⋅π interactions. More information can be found in the Full Paper by M. Shieh, H. ‐ L. Liu et al. on page 11261. [ABSTRACT FROM AUTHOR]