We apply the ab initio spin density functional theory to study magnetism in all-carbon nanostructures. We find that particular systems, which are related to schwarzite and contain no undercoordinated carbon atoms, carry a net magnetic moment in the ground state. We postulate that, in this and other nonalternant aromatic systems with negative Gaussian curvature, unpaired spins can be introduced by sterically protected carbon radicals.
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http://dx.doi.org/10.1103/PhysRevLett.91.237204 | DOI Listing |
Acc Chem Res
December 2024
Faculty of Chemistry and Food Chemistry, TU Dresden, Bergstrasse 66c, 01069 Dresden, Germany.
ConspectusTriangulene (TRI) and its heterotriangulene (HT) derivatives are planar, triangle-shaped molecules that, via suitable coupling reactions, can form extended organic two-dimensional (2D) crystal (O2DC) structures. While TRI is a diradical, HTs are either closed-shell molecules or monoradicals which can be stabilized in their cationic form.Triangulene-based O2DCs have a characteristic honeycomb-kagome lattice.
View Article and Find Full Text PDFACS Nano
October 2024
CIC nanoGUNE-BRTA, 20018 Donostia-San Sebastián, Spain.
J Pharm Biomed Anal
August 2024
Department of Chemistry, Brandeis University, Waltham, MA 02453, USA. Electronic address:
Patiromer (Veltassa®) is a crosslinked, insoluble co-polymer drug used as a nonabsorbent potassium binder, approved for treatment of hyperkalemia. Quantitative solid-state C nuclear magnetic resonance (NMR) analysis with comprehensive peak assignment, component quantification, and calculation of mole and weight fractions of monomer units was performed on three doses of patiromer. The workflow is documented in detail.
View Article and Find Full Text PDFMacromol Rapid Commun
August 2024
Key Laboratory of Chemical Biology & Traditional Chinese Medicine Research, Ministry of Education, Institute of Interdisciplinary Studies, College of Chemistry and Chemical Engineering, Hunan Normal University, Changsha, Hunan, 410081, China.
Carbon-chain dendritic polymers hold unique properties and promising applications. However, synthesizing carbon-chain dendrimers, beyond conjugated ones, remains a challenge. Here, the use of the iterative single unit monomer insertion technique for synthesizing 2.
View Article and Find Full Text PDFMagn Reson Chem
August 2024
Department of Chemistry, Carnegie Mellon University, Pittsburgh, Pennsylvania, USA.
Configurational and conformational analysis of the biologically relevant natural product artemisinin was conducted using carbon-carbon residual dipolar couplings (D RDCs) at natural abundance. These RDCs were measured through the 2D-INADEQUATE NMR experiment using a sample aligned in a compressed poly (methyl methacrylate) (PMMA) gel swollen in CDCl. Singular value decomposition (SVD) fitting analysis of all carbon-carbon bonds, D RDCs, in relation to the full configuration/conformational space (32 diastereoisomers) of artemisinin, unambiguously identified the correct configuration of artemisinin.
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