Four 1,3-disubstituted benzimidazolium salts: 1,3-diisopropylbenzimidazolium iodide (1), 1,3-diisopropylbenzimidazolium aluminum tetraiodide (2), 1,3-diisopropylbenzimidazolium triiodide (3), and 1,3-diisopropylbenzimidazolium tetrakis[3,5-bis(trifluoromethyl)phenyl]borate (4) have been characterized using single X-ray diffraction analysis. Compounds 2–4 are new and are characterized by NMR and IR spectroscopy. Compound 2 was prepared by reacting 1 with aluminum triiodide and compound 4 in a metathesis reaction of 1 with sodium tetrakis[3,5-bis(trifluoromethyl)phenyl]borate, giving yields of 96% and 93%, respectively. Compound 3 was prepared by reacting 1 with 1 eq. of iodine and was isolated in 34% yield. Compound 1 crystallizes in the Orthorhombic space group P212121 with an asymmetric unit consisting of one benzimidazolium cation and one iodine anion. Compound 2 crystallizes in the Monoclinic space group P21/ n with an asymmetric unit consisting of one benzimidazolium cation and one aluminum tetraiodide anion. Compound 3 crystallizes in the Monoclinic space group C2/ c with an asymmetric unit consisting of one and one-half benzimidazolium cations and one and one-half triiodide anions. Compound 4 crystallizes in the Triclinic space group P-1 with an asymmetric unit consisting of one benzimidazolium cation and one tetrakis[3,5-bis(trifluoromethyl)phenyl]borate anion. The NCN angles in all four compounds are approximately 110°, which is consistent with literature values. Stacking and halogen and hydrogen bonding interactions in the series are also discussed.

Silver and gold are the most used plasmonic metals for surface-enhanced Raman spectroscopy (SERS), accounting for the vast majority of the published literature in this field. These two metals are preferred due to their excellent plasmonic enhancement, stability, and relative ease of synthesis and functionalization of their associated nanostructures. However, both silver and gold face earth abundance limitations, and so alternatives should be sought, particularly for large-scale plasmonic applications such as plasmon-enhanced photovoltaics or optical cloaking. In this work, a method to produce effective and scalable copper-based substrates for electrochemical SERS (EC-SERS) is introduced, utilizing commercially available carbon screen-printed electrodes (SPE) and physical vapor deposition (PVD). The carbon black particles present on the working electrode of the SPE serve as an efficient scaffold for the fabrication of copper nanostructures. Several test molecules were used to illustrate the performance of these sensors in the SERS analysis. This work also highlights the first reported formation of an electrochemically generated N-heterocyclic carbene (NHC) self-assembled monolayer (SAM) on a nanostructured copper surface under potential control in an aqueous electrolyte.

The addition of 4-ethyl-3-thiosemicarbazide to benzaldehyde and boronic acid containing derivatives afforded the corresponding thiosemicarbazones (1–3) or benzodiazaborines (4–6) depending on the position of the boronic acid within the ring. All compounds have been characterized fully including an X-ray diffraction study of the methoxy-containing benzodiazaborine 6. Attempts to coordinate thiosemicarbazones 2 and 3 to palladium(II) acetate were unsuccessful; however, addition of the non-boron-containing derivative 1 to palladium afforded complex 7 whose molecular structure was determined by an X-ray diffraction study. The initial bioactivities of compounds 1–7 were examined against two fungi, Aspergillus niger and Saccharomyces cerevisiae, and two bacteria, Bacillus cereus and Pseudomonas aeruginosa.

An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.

The title hydrated molecular salt, C4H12N+·C4H5O6−·H2O, was prepared by deprotonation of enantiopure l-tartaric acid with racemic sec-butylamine in water. Only one enantiomer was observed crystallographically, resulting from the combination of (S)-sec-butylamine with l-tartaric acid. The sec-butylammonium moiety is disordered over two conformations related by rotation around the CH–CH2 bond; the refined occupancy ratio is 0.68 (1):0.32 (1). In the crystal, molecules are linked through a network of O—H...O and N—H...O hydrogen-bonding interactions, between the ammonium H atoms, the tartrate hydroxy H atoms, and the interstitial water, forming a three-dimensional supramolecular structure.

A series of iminophosphineplatinum(II) complexes have been prepared from pro-ligands derived from aniline derivatives containing electron-donating methoxy groups or electron-withdrawing fluorides and [PtCl2(η 2 − coe)]2 (coe = cis-cyclooctene). All new pro-ligands and metal complexes have been fully characterized, including an X-ray diffraction study for compound 11 (derived from para-methoxyaniline). Additionally, the molecular structure of a di-iminophosphineplatinum dication 11a has been determined. The platinum compounds showed no appreciable cytotoxic properties against two glioma cell lines using the MTT method.

A new chloroform adduct of the N-heterocyclic carbene (NHC) 1,3-bis(2,6-diisopropylphenyl)imidazolidin-2-ylidene (SIPr) has been prepared via C–H bond activation of the chloroform at the carbene carbon. This redox product was crystallized and was characterized by 1H and 13C-NMR spectroscopy, elemental analysis (EA), and single-crystal X-ray diffraction. The 1H and 13C-NMR spectroscopic data are in agreement with the crystal structure. Density functional theory (DFT) calculations were performed as a means for comparison to experimental data and the computational results are in agreement with those obtained experimentally.

The title compound, C27H38ClN2+·C32H12BF24−, was synthesized by reacting the product formed from a previous reaction between 1,3-bis(2,6-diisopropylphenyl)imidazolinium-2-carboxylate (SIPrCO2), and SOCl2, with sodium tetrakis[3,5-bis(trifluoromethyl)phenyl]borate (NaBARF). In the cation, the imidazole ring is in a half-chair conformation and the formerly carbene carbon atom is bonded in a distorted trigonal–planar geometry with N—C—Cl angles of 122.96 (16) and 122.21 (16)° and an N—C—N angle of 114.83 (18)°. In the crystal, weak C—H...F hydrogen bonds link the cations and anions, forming a three-dimensional network. In addition, a short Cl...F contact of 3.213 Å and several short F...F contacts less than the sum of the van der Waals radii [1.47 Å + 1.47 Å = 2.94 Å] are observed. The F atoms of two of the CF3 groups were refined as disordered over four sets of sites.

The title compound, C27H38ClN2+·C32H12BF24-, was synthesized by reacting the product formed from a previous reaction between 1,3-bis-(2,6-diiso-propyl-phen-yl)imidazolinium-2-carboxyl-ate (SIPrCO2), and SOCl2, with sodium tetra-kis-[3,5-bis-(tri-fluoro-meth-yl)phen-yl]borate (NaBARF). In the cation, the imidazole ring is in a half-chair conformation and the formerly carbene carbon atom is bonded in a distorted trigonal-planar geometry with N-C-Cl angles of 122.96 (16) and 122.21 (16)° and an N-C-N angle of 114.83 (18)°. In the crystal, weak C-H⋯F hydrogen bonds link the cations and anions, forming a three-dimensional network. In addition, a short Cl⋯F contact of 3.213 Å and several short F⋯F contacts less than the sum of the van der Waals radii [1.47 Å + 1.47 Å = 2.94 Å] are observed. The F atoms of two of the CF3 groups were refined as disordered over four sets of sites.