Antonio Frontera

The Effect of Single-Atom (Zn, Cd, or Hg) Replacement on the Strength and Directionality of the Spodium Bond

Atash V. Gurbanov, Rosa M. Gomila, Fatali E. Huseynov, Antonio Frontera et autres

Abstract The spodium bond (SpB) is an attractive noncovalent interaction between the Group 12 element (Zn, Cd, or Hg) and a nucleophile (Nu). In comparison to the monovariant H-bond at R–H···Nu synthon, the SpB parameters (strength and directionality) can also be regulated …

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Structural Variety, Luminescent Properties, and DFT Calculations of 2-Naphthaldehyde Thiosemicarbazone and Its Complexes with Zinc(II) and Cadmium(II)

A. Castiñeiras, Isabel García‐Santos, Lorenzo Seijo, Julio Corredoira‐Vázquez et autres

Abstract A 2-naphthyl functionalized thiosemicarbazone has been synthesized in high yield by means of a Schiff base condensation reaction. The 2-(naphthalen-2-ylmethylene)hydrazinecarbothioamide (Hnatsc, 1) reacts with zinc(II) and cadmium(II) chlorides and acetates to obtain neutral complexes of formulae: [ZnCl2(Hnatsc)2]·H2O (2·H2O), [Zn(natsc)2]·3H2O (3·3H2O), [Zn(natsc)2(Hnatsc)2]·3H2O …

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Light-Enhanced Synthesis of TiSb2 and TiBi2 Metallacycles

Matthias Bollenbeck, Floria A. E. Hojer, Rosa M. Gomila, Gregor Schnakenburg et autres

Abstract The synthesis of small metallacycles of early transition metals and heavy pnictogens has been primarily achieved by reductive coupling of the pnictane moiety with a transition metal fragment. Herein, we report a light-enhanced synthesis of titanocene Sb2 and Bi2 metallacycles starting …

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Encapsulation of Linear and Cyclic Alkanes in Water Within a Dimeric Deep‐Cavity Sulfonatocalix[4]arene Capsule

Nico Schneider, Sebastiano Casalino, Aldrik H. Velders, Rosa M. Gomila et autres

H NMR spectroscopy shows that the two calixarene subunits interdigitate, creating an elongated hydrophobic cavity that accommodates linear and cyclic alkanes, as well as benzene and hexafluorobenzene. NMR competition experiments establish a guest size-dependent stability sequence: among the linear alkanes, complex stability …

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From Molecular Crystals to Electronic Devices: Investigating Structure–Property Relationships of Iron(III) and Cobalt(II) Coordination Complexes

Subhajit Saha, Samit Pramanik, Sudipta Pathak, Riya Sadhukhan et autres

Abstract Metal–organic semiconductors based on earth-abundant 3d transition metals offer great potential for optoelectronic devices, yet establishing direct structure–property relationships between specific supramolecular networks, electronic structure, and charge transport remains a major challenge. In this work, we address this gap through a …

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Coordination-Induced σ-Hole Chalcogen Bonding Involving Anionic Sulfur Donors of Dithiocarbamate-Type Ligands: Electrophilicity of Anions in Group 10 Metal Complexes

Eugene V. Ignatov, Лев Е. Зеленков, Sergey V. Baykov, Daniil M. Ivanov et autres

Abstract Coordination-induced electrophilic activation of anionic ligands inverts the conventional reactivity of coordination compounds. Here, we report experimental and theoretical evidence for σ-hole chalcogen bond (ChB) donation from anionic dithiocarbamate-type sulfur centers. Isomorphous Group 10 metal complexes bearing a fluorosulfonamide-modified dithiocarbamate ligand, …

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The Sulfonation of Acetone: Characterization of Acetonedisulfonic Acid and Its Salts

Jan Langwald, Jan Chrubasik, Antonio Frontera, Mathias S. Wickleder

We report the synthesis of acetonedisulfonic acid ([(HOSO 2 CH 2 ) 2 CO], ADSA) by slow reaction of acetone and oleum (65% SO 3 ) and subsequent removal of H 2 O. The new acid was used to prepare potassium acetonedisulfonate, …

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Self-Assembly of Nanocubes from Small-Molecule Amphiphiles

Reguram Arumugaperumal, Amar Raj, Rakesh Puttreddy, Rajanish R. Pallerla et autres

Abstract Directing the self-assembly of small organic molecules into anisotropic nanoparticles without relying on metal coordination remains a fundamental challenge. Here, we show that controlled evaporation of aqueous solutions of a small-molecule amphiphile composed of a π-conjugated aromatic core functionalized with oligo(ethylene …

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Layered Nickel–HHTP Networks for Efficient Chemiresistive Sensing of CH 4 and CO 2

Ignasi Fort-Grandas, Marta Martínez‐Belmonte, Jordi Benet‐Buchholz, R. Rodríguez Gomila et autres

ABSTRACT The synthesis and single‐crystal structural elucidation of Ni‐HHTP are reported for the first time, achieved from crystals of sufficient size for electron diffraction analysis. These studies reveal that the crystal structure of Ni‐HHTP alternates between radical‐rich and closed‐shell layers along the …

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Dual Donor–Acceptor Behavior of Tellurium(II) in Cocrystals: Tuning Noncovalent Interactions with σ- and π-Hole Donors

Лев Е. Зеленков, Eugene V. Ignatov, Sergey V. Baykov, Daniil M. Ivanov et autres

Abstract The unique electronic structure of tellurium enables a dual donor–acceptor behavior in noncovalent interactions (NCIs) that can be systematically tuned. In this work, we investigate the cocrystallization of tellurium(II) bis(diethyldithiocarbamate) (1) with σ-hole (1,4-diiodo-2,3,5,6-tetrafluorobenzene and 1,3,5-triiodo-2,4,6-trifluorobenzene) and π-hole (1,2,4,5-tetracyanobenzene, TCB) donors. …

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Catching Wyckoff’s Phantom: The Peculiar Crystal Structure of Orthorhombic Cs[ICl 2 ]

Jan Langwald, Antonio Frontera, Mathias S. Wickleder

The crystal structure of the thus far elusive orthorhombic modification of Cs[ICl 2 ] ( Pnma , Z = 4, a = 1042.2(1) pm, b = 647.35(5) pm, c = 870.38(8) pm and V = 587.21(9) Å 3 ) is reported. In …

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Two smartphone-assisted colorimetric microwell methods for sustainable and high throughput analysis of avapritinib tablets

Awadh M. Ali, Mohammed S. Alsalhi, Reem H. Obaydo, Weam M. Othman et autres

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