Magnetism in all-carbon nanostructures with negative Gaussian curvature.

Phys Rev Lett

Research Organization for Information Science and Technology, 2-2-54 Naka-Meguro, Meguro-ku, Tokyo 153-0061, Japan.

Published: December 2003

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.

Download full-text PDF

Source
http://dx.doi.org/10.1103/PhysRevLett.91.237204DOI Listing

Publication Analysis

Top Keywords

magnetism all-carbon
8
all-carbon nanostructures
8
negative gaussian
8
gaussian curvature
8
nanostructures negative
4
curvature apply
4
apply initio
4
initio spin
4
spin density
4
density functional
4

Similar Publications

Physics and Chemistry of Two-Dimensional Triangulene-Based Lattices.

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 PDF
Article Synopsis
  • * Researchers found that a protected diradical variant can maintain its open-shell state on a gold substrate, showing specific interactions between its unpaired electrons and a unique nonplanar geometry.
  • * Using scanning tunneling microscopy (STM), the team was able to observe and manipulate the magnetic states of these molecules, indicating that structural changes can affect their spin properties and suggesting future applications in spin-crossover materials.
View Article and Find Full Text PDF

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 PDF

Synthesis of Dendrimer-Like Molecules with Partial Carbon Chain via Iterative Single Unit Monomer Insertions.

Macromol 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 PDF

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.

View Article and Find Full Text PDF

Want AI Summaries of new PubMed Abstracts delivered to your In-box?

Enter search terms and have AI summaries delivered each week - change queries or unsubscribe any time!