The present work rationalizes the construction of a cutting-edge electrochemical sensor and its utilization in establishing the unique square wave vol…

Triflate salts of phosphito-phosphanides [LCP–P(OR)3]+ (1[OTf], R = alkyl, LC = N-heterocyclic carbene) were obtained via nucleophilic fragmentation of the tetraphosphetane [(LC)4P4][OTf]4 (3[OTf]4) w...

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Halogen bonding (HaB) traditionally occurs between electrophilic halogen donors and nucleophilic acceptors, yet this study reveals a phenomenon wherein anionic iodide ligands demonstrate an electrophilic behavior in platinum(IV) complexes, directly contradicting their inherent nucleophilic nature. Crystallographic analysis of trans-[PtI4(CNCy)2], [PtI4(phen)]·I2, and trans-[PtI4(SMe2)2], combined with molecular electrostatic potential (ESP), quantum theory of atoms in molecules (QTAIM), natural bond orbital (NBO), and electron localization function (ELF) analyses, demonstrates that platinum(II) oxidation to platinum(IV) transforms coordinated iodides from HaB acceptors to HaB donors. This transformation occurs through positive σ-hole development at iodide ligands, with ESP values shifting from negative (−9.6 kcal/mol) in platinum(II) to positive (+1.9 kcal/mol) in platinum(IV) complexes. Energy decomposition analysis reveals that dispersion forces dominate these interactions rather than electrostatics, contrasting with classical σ-hole donors where electrostatic contributions typically prevail. Cambridge Structural Database analysis identifies 32 additional platinum(IV) structures exhibiting similar PtIV–I···Nu HaBs, demonstrating this phenomenon’s widespread nature. This study reveals new opportunities for controlling noncovalent interactions through metal oxidation state manipulation.

The hydantoin ring is a key structural feature in many pharmaceutically active compounds and blockbuster drugs, especially those targeting disorders of the central nervous system. In an effort to expa...

Mechanochromic materials capable of changing colour in response to mechanical stimuli, offer exciting prospects for applications in sensors, smart materials, and data storage. This study explores the ...

Although unsaturated heavy dipnicta-heterocycles have recently received increasing attention, their reactivity still remains underexplored. Herein, we describe a comprehensive experimental and theoret...

Sublimation has emerged as a powerful tool for polymorphic screening in pharmaceutical multicomponent materials. In this work, a combined strategy involving mechanochemistry and sublimation enables th...

A photoactive two-dimensional metal–organic framework (2D MOF) [Zn(4-spy)(DCTP)]n (1) [where 4-spy = 4-styrylpyridine and H2DCTP = 2,5-dichloroterephthalic acid] undergoes photochemical [2 + 2] cycloaddition on UV irradiation to obtain three-dimensional (3D) MOF [Zn(rctt-4-ppcb)(DCTP)]n (2) [rctt-4-ppcb = 1,3-bis(4′-pyridyl)-2,4-bis(phenyl)cyclobutane] in a single-crystal to single-crystal (SCSC) manner. This structural transformation leads to stronger halogen···halogen interaction that is well-corroborated by density functional theory (DFT) calculations.

Unprecedented application of X-ray photoelectron spectroscopy (XPS) for quantifying halogen and chalcogen bond strengths. This pioneering work provides the first benchmark study and establishes stron...