The interplay between spin densities and magnetic superexchange interactions: case studies of mono- and trinuclear bis(oxamato)-type complexes

• Azar Aliabadi,
• Bernd Büchner,
• Vladislav Kataev and
• Tobias Rüffer

Beilstein J. Nanotechnol. 2017, 8, 2245–2256, doi:10.3762/bjnano.8.224

• is given by the countless derivatization offered by carbon chemistry. They allow for altering chemical structures and, in doing so, to tune magnetic properties of molecular spin-carrying compounds. With emphasis on the interplay of the spin density distribution of mononuclear and magnetic

• double resonance; spin density distribution; Introduction The flexibility of carbon chemistry together with the structural variety of coordination chemistry offers unique possibilities to design new coordination complexes. This includes the potential of metalloligands for a metallosupramolecular

• material science applications. Moreover, it would be fascinating if electron spin resonance (ESR) spectroscopic studies could give access to the spin density distribution of type-II complexes as an experimentally achievable measure of the magnetic superexchange couplings of type-III complexes and of

Quasi-1D physics in metal-organic frameworks: MIL-47(V) from first principles

• Danny E. P. Vanpoucke,
• Jan W. Jaeken,
• Stijn De Baerdemacker,
• Kurt Lejaeghere and
• Veronique Van Speybroeck

Beilstein J. Nanotechnol. 2014, 5, 1738–1748, doi:10.3762/bjnano.5.184

• . However, the resulting small geometry based contribution to the system energy results in significant variations in the derived coupling constants. The electronic band structure and the spin density distribution further confirm the quasi-1D nature of the VO6 chains in the MIL-47(V) MOF, with the conduction

• ) MOF. The extrema of the s-shaped curve represent the points at which a pressure-induced phase transition occurs. The red dashed and green dotted curves indicate the path followed for increasing and decreasing pressure, respectively. The spin density distribution of the SFM system. The upper chain has

Nanoscaled alloy formation from self-assembled elemental Co nanoparticles on top of Pt films

• Luyang Han,
• Ulf Wiedwald,
• Johannes Biskupek,
• Kai Fauth,
• Ute Kaiser and
• Paul Ziemann

Beilstein J. Nanotechnol. 2011, 2, 473–485, doi:10.3762/bjnano.2.51

• effective spin magnetic moment µL/µSeff, where the effective spin moment µSeff = µS + 7 µT contains two contributions: The spin moment µS, as well as the magnetic dipole moment µT, which relates to the anisotropy of the spin density distribution. As the magnetic dipole term may be quite significant in CoPt