In the [Fe(4,4'-bit)(3)](2+) (4,4'-bit is 4,4'-bi-1,3-thia-zole) cation of the title compound, [Fe(C(6)H(4)N(2)S(2))(3)][FeBr(4)]Br, the Fe(II) atom (3 symmetry) is six-coordinated in a distorted octa-hedral geometry by six N atoms from three 4,4'-bit ligands. In the [FeBr(4)](-) anion, the Fe(III) atom (3 symmetry) is four-coordinated in a distorted tetra-hedral geometry. In the crystal, inter-molecular C-H⋯Br hydrogen bonds and Br⋯π inter-actions [Br⋯centroid distances = 3.562 (3) and 3.765 (2) Å] link the cations and anions, stabilizing the structure.
Download full-text PDF |
Source |
---|---|
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC3052137 | PMC |
http://dx.doi.org/10.1107/S1600536811004181 | DOI Listing |
Phys Chem Chem Phys
January 2025
Department of Chemical Engineering, National Institute of Technology, Nara College, Yamatokoriyama, Nara 639-1080, Japan.
This study focuses on two types of phosphonium cation-based ionic liquids (P-ILs) with different alkyl chains: triethylalkylphosphonium (P222R) and tributylalkylphosphonium (P444R) cations. Broadband dielectric spectroscopy showed that the translational motion of the ions accelerated with an increasing number of alkyl chains by coupling with their rotational motion in both P-ILs. Raman spectroscopy revealed that P222R cations, despite dielectric similarities to P444R cations, can form all-trans conformations and cation-rich nanodomains because they have a relatively polar, short alkyl chain moiety with a central P atom and less-polar alkyl chains than those of P444R cations.
View Article and Find Full Text PDFJ Chem Theory Comput
January 2025
Department of Chemistry, Birla Institute of Technology Mesra, Ranchi 835215, India.
Planar hexacoordination is an extremely uncommon phenomenon for the atoms that belong to the main group. Within this article, we have analyzed the potential energy surfaces (PES) of ABeCB (A = N, P, As, Sb, and Bi) clusters in neutral, monocationic, monoanionic, dicationic, and dianionic states using density functional theory (DFT). Among which PBeCB, PBeCB, AsBeCB, AsBeCB, SbBeCB, and BiBeCB clusters contain a planar hexacoordinate boron (phB) atom in the global minimum energy structures with symmetry.
View Article and Find Full Text PDFACS Nano
January 2025
Key Laboratory of Photoelectronic Conversion and Utilization of Solar Energy, Qingdao Institute of Bioenergy and Bioprocess Technology, Chinese Academy of Sciences, Qingdao 260101, China.
Engineering the local coordination environment of single metal atoms is an effective strategy to improve their catalytic activity, selectivity, and stability. In this study, we develop an asymmetric Pd-Ag diatomic site on the surface of g-CN for the selective electrocatalytic semihydrogenation of alkynes. The single Pd atom catalyst, which has a locally symmetric Pd coordination, was inactive for the semihydrogenation of phenylacetylene in a 1 M KOH and 1,4-dioxane solution at an applied potential of -1.
View Article and Find Full Text PDFActa Crystallogr E Crystallogr Commun
January 2025
A novel coordination compound, [Co()(HO)], was synthesized from aqueous solutions of Co(NO) and the ligand 2-[(5-methyl-1,3,4-thia-diazol-2-yl)sulfan-yl]acetic acid (H, CHNOS). In the monoclinic crystals (space group 2/), the cobalt(II) ion is located about a centre of symmetry and is octa-hedrally coordinated by two anions in a monodentate fashion through carboxyl O atoms and by four water mol-ecules. A relatively strong hydrogen bond between one of the water mol-ecules and the non-coordinating carboxyl-ate O atom consolidates the conformation.
View Article and Find Full Text PDFAngew Chem Int Ed Engl
January 2025
University of Science and Technology of China, National Synchrotron Radiation Laboratory, 42#, South Road of HeZuoHua, 230029, Hefei, CHINA.
Fe-N-C catalysts, with a planar D4h symmetric FeN4 structure, show promising as noble metal-free oxygen reduction reaction catalysts. Nonetheless, the highly symmetric structure restricts the effective manipulation of its geometric and electronic structures, impeding further enhancements in oxygen reduction reaction performance. Here, a high proportion of asymmetric edge-carbon was successfully introduced into Fe-N-C catalysts through morphology engineering, enabling the precise modulation of the FeN4 active site.
View Article and Find Full Text PDFEnter search terms and have AI summaries delivered each week - change queries or unsubscribe any time!