N,N'-Bis(4-pyridylmethyl)oxalamide, C(14)H(14)N(4)O(2), exists as a dimer which is extended into a two-dimensional network with other dimers through pyridine-amide hydrogen bonds. The crystal structure of the title coordination polymer, {[CoCl2(C(14)H(14)N(4)O(2))].0.5H2O}n, features a one-dimensional zigzag chain, in which the cobalt ion sits at a twofold symmetry position and adopts a tetrahedral geometry, and the bridging ligand lies on an inversion center and connects to Co(II) ions in a bis-monodentate mode. Furthermore, two interwoven chains create a cavity of ca 8.6 x 8.6 A, which produces a three-dimensional channel. Water molecules are held in the channel by hydrogen bonds.
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http://dx.doi.org/10.1107/S0108270107014527 | DOI Listing |
Nature
January 2025
Department of Chemistry, National University of Singapore, Singapore, Singapore.
Topological design of π electrons in zigzag-edged graphene nanoribbons (ZGNRs) leads to a wealth of magnetic quantum phenomena and exotic quantum phases. Symmetric ZGNRs typically show antiferromagnetically coupled spin-ordered edge states. Eliminating cross-edge magnetic coupling in ZGNRs not only enables the realization of a class of ferromagnetic quantum spin chains, enabling the exploration of quantum spin physics and entanglement of multiple qubits in the one-dimensional limit, but also establishes a long-sought-after carbon-based ferromagnetic transport channel, pivotal for ultimate scaling of GNR-based quantum electronics.
View Article and Find Full Text PDFMolecules
December 2024
International Research Centre Magtop, Institute of Physics, Polish Academy of Sciences, Aleja Lotników 32/46, PL-02668 Warsaw, Poland.
We present first-principles results on the electronic and magnetic properties of the cubic bulk β-phase of Fe2O3. Given that all Fe-Fe magnetic couplings are expected to be antiferromagnetic within this high-symmetry crystal structure, the system may exhibit some signature of magnetic frustration, making it challenging to identify its magnetic ground state. We have analyzed the possible magnetic phases of the β-phase, among which there are ferrimagnets, altermagnets, and Kramers antiferromagnets.
View Article and Find Full Text PDFMicrosyst Nanoeng
December 2024
Mechanical and Aerospace Engineering, University of California, Irvine, CA, 92617, USA.
Carbon nanofibers show the advantages of scale effects on electrical and mechanical properties for applications such as aerospace, automotive, and energy, but have to confront the challenge of maximizing the role of scale effects. Here, a method of additive nanostructuring and carbonization of polyacrylonitrile (PAN) jetting for the nano-forming of carbon fibers is developed by understanding the electrostatic submicro-initiation of a PAN jetting, altering the microstructure of PAN-based jetting fibers at the nanoscale and implementing subsequent carbonization of PAN jetting nanofiber. Using this method of additive nanostructuring and carbonization in combination with the radial distribution pattern of shear stress, we find that the conformation of some molecular chains inside the PAN nanofibers is transformed into the zigzag conformation.
View Article and Find Full Text PDFProc Natl Acad Sci U S A
December 2024
Department of Chemistry, University of California, Berkeley, CA 94720.
Polycyclic aromatic hydrocarbons (PAHs) play a major role in the chemistry of combustion, pyrolysis, and the interstellar medium. Production (or activation) of radical PAHs and propagation of their resulting reactions require efficient dehydrogenation, but the preferred method of hydrogen loss is not well understood. Unimolecular hydrogen ejection (i.
View Article and Find Full Text PDFDalton Trans
December 2024
Department of Chemistry, Lomonosov Moscow State University, 119991 Moscow, Russia.
In pursuit of identifying less toxic hybrid compounds suitable for optoelectronic applications, we synthesized a novel homopiperazinium bromoantimonate(III), (CHN){SbBr}. It readily crystallized from an aqueous hydrobromic acid solution and was found to be stable both in air and upon heating up to 175 °C. The crystal structure of the new bromoantimonate(III) consisted of {SbBr} zigzag chains, which were composed of strongly trigonally distorted SbBr octahedral anions and CHN dications.
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