1,3‐Benzothia­zole‐6‐carboxamidinium chloride dihydrate

The title compound, C₈H₈N₃S⁺·Cl⁻·2H₂O, has been synthesized and characterized both spectroscopically and structurally. The structure consists of 1,3‐benzothia­zole‐6‐carboxamidinium cations, chloride anions and water mol­ecules, all interconnected by hydrogen bonds into a three‐dimensional network. The 1,3‐benzo­thia­zole moiety is inclined to the 6‐­amidine group by 36.71 (9)°.     

Pivaloylated glucoconjugates with heterocyclic oximes

Condensation of tetra-O-pivaloyl-α-d-glucopy-ranosyl bromide (1) with three heterocyclic oximes: 3-hydroxyiminoquinuclidine (2), 4-hydroxyiminomethyl-pyridine (3) and N-methyl-2-hydroxyiminomethylimidazole (4) leads to the β-N-glucoconjugates. Conjugates 6 and 7 were synthesized using aromatic compounds 3 and 4 as the starting material. They were obtained in two isomeric forms (E and Z) due to the restricted rotation around the oxime's double bond. The presence of E and Z isomers was proved by comparison of NMR spectra with calculated GIAO/DFT NMR spectra on B3LYP/6-31G(d) level of theory and by X-ray structural analysis of starting oxime reagents. Isomery was not observed in the quinuclidinium glucoconjugate 5.     

A New Preparation of Mo2(CO)8(μ-PPh2)2 and W2(CO)8(μ-PPh2)2 by a Phosphorus-Carbon Bond Cleavage Reaction. Crystal Structure of a New Polymorph of Mo2(CO)8(μ-PPh2)2

A new synthesis of Mo₂(CO)₈(-PPh₂)₂ and W₂(CO)₈(-PPh₂)₂ by the reaction of molybdenum and tungsten hexacarbonyls with a tetraazamacrocyclic ligand containing —CH₂PPh₂ side chains, comprising cleavage of the phosphorus-methylene bond has been performed. The complexes have been investigated by magnetic and spectroscopic measurements and by single-crystal structure analyses. The structural characterization of a new polymorph of Mo₂(CO)₈(-PPh₂)₂ has been described.     

Stabilization of the N-1-substituted cytosinate iminooxo form in dinuclear palladium complexes

The synthesis, as well as chemical and structural characterization, of 1-(p-toluenesulfonyl)cytosine (1) and its dinuclear complexes of the composition Pd₂(1-TosC^?–N3,N4)₄ (3) and Pd₂(1-TosC^?–N3,N4)₂DMSO₂Cl₂ (4) by means of ESI-MS, IR, ¹H NMR and X-ray single crystal analysis are described. Ligand 1 exists in the preferred aminooxo tautomeric form, while both dinuclear complexes reveal the presence of the iminooxo form of the ligand, where 1-TosC^? stands for the anion of the cytosine derivative of 1, bridging two palladium atoms. Complex 3 has a paddlewheel structure with two square-planar coordination spheres, consisting of four N atoms each, mutually parallel and perpendicular to the interpalladium vector. Complex 4 is characterized by two mutually parallel square-planar coordination spheres consisting of two nitrogens, sulfur from the solvent molecule and a chloride. A feasible chemical route for the formation of 3 and 4 via the kinetically favoured mononuclear complex Pd(1-TosC–N3)₂Cl₂ (2) is proposed, based on the IR, ¹H NMR, mass spectrometry, elemental analysis and X-ray structure analysis data.     

The Aubert involution and R-groups

We establish the connection between the standard intertwining operators for a square integrable representation and its Aubert involution. In the cases of special orthogonal groups and symplectic groups, we define the R-group for a nontempered unitary representation, under the assumption that the Aubert involution of the representation is square-integrable.     

Potentiometric Surfactant Sensor Based on 1,3-Dihexadecyl-1H-benzo[d]imidazol-3-ium for Anionic Surfactants in Detergents and Household Care Products

A 1,3-dihexadecyl-1H-benzo[d]imidazol-3-ium-tetraphenylborate (DHBI-TPB) ion-pair implemented in DHBI-TPB surfactant sensor was used for the potentiometric quantification of anionic surfactants in detergents and commercial household care products. The DHBI-TPB ion-pair was characterized by FTIR spectroscopy and computational analysis which revealed a crucial contribution of the C–H∙∙∙π contacts for the optimal complex formation. The DHBI-TPB sensor potentiometric response showed excellent analytical properties and Nernstian slope for SDS (60.1 mV/decade) with LOD 3.2 × 10⁻⁷ M; and DBS (58.4 mV/decade) with LOD 6.1 × 10⁻⁷ M was obtained. The sensor possesses exceptional resistance to different organic and inorganic interferences in broad pH (2–10) range. DMIC used as a titrant demonstrated superior analytical performances for potentiometric titrations of SDS, compared to other tested cationic surfactants (DMIC > CTAB > CPC > Hyamine 1622). The combination of DHBI-TPB sensor and DMIC was successfully employed to perform titrations of the highly soluble alkane sulfonate homologues. Nonionic surfactants (increased concentration and number of EO groups) had a negative impact on anionic surfactant titration curves and a signal change. The DHBI-TPB sensor was effectively employed for the determination of technical grade anionic surfactants presenting the recoveries from 99.5 to 101.3%. The sensor was applied on twelve powered samples as well as liquid-gel and handwashing home care detergents containing anionic surfactants. The obtained results showed good agreement compared to the outcomes measured by ISE surfactant sensor and a two-phase titration method. The developed DHBI-TPB surfactant sensor could be used for quality control in industry and has great potential in environmental monitoring.     

Ionothermal synthesis and structure analysis of an open-framework zirconium phosphate with a high CO2/CH4 adsorption ratio

Less is more: an open-framework zirconium phosphate with unusual 7-ring channels was synthesized ionothermally from a deep-eutectic solvent. This small-pore material displays a CO(2)/CH(4) adsorption ratio (17.3 at 1 bar) that is significantly higher than that of typical 8-ring materials, making it highly attractive for CO(2)/CH(4) separations.