An electronegativity-induced spin repulsion effect
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Long-range bonding interactions were evaluated using variable-temperature NMR spectroscopy and suitable 2'-CH2X-substituted phenylpyridines (X = Me, NMe2, OMe, F). It was found that the arylpyridyl rotational barriers were lower when electronegative atoms ...
The overarching objective of this thesis is extending and adapting the set of computational tools available for describing molecular precursors of organic semiconductors. The research presented within develops adhering to three principle goals: (1) provide ...
Computational studies of organic systems are frequently limited to static pictures that closely align with textbook style presentations of reaction mechanisms and isomerization processes. Of course, in reality chemical systems are dynamic entities where a ...
In this thesis I study the synthesis and basic physical properties characterization on 3d, 4d and 5d transition metal compounds. Great success has been obtained in 3d transition metal compounds, in which the electric states are well localized due t ...
This thesis comprises the study of two types of 2D materials, those stabilized by non-covalent and those by covalent interactions. They are synthesized and studied on well-defined metallic surfaces in ultra-high vacuum (UHV). The self-assembly of terephtha ...
This thesis encompasses an investigation of organic molecules on metallic substrates as well as a study of electronic and magnetic effects in atomic-sized palladium contacts. For this, a scanning tunneling microscope, operating at 6 K and ultra-high vacuum ...
The dependence of the lattice parameter on dopant concentration in Ce1-xMxO2 (M = Sn and Ti) solid solutions is not linear. A change towards a steeper slope is observed around x similar to 0.35, though the fluorite structure (space group Fm3m) is preserved ...
The electronic configuration of the molecule is the foundation of its structure and reactivity. The spin state is one of the key characteristics arising from the ordering of electrons within the molecule’s set of orbitals. Organic molecules that have open-s ...
Magnetization curves of two rectangular metalorganic coordination networks formed by the organic ligand TCNQ (7,7,8,8-tetracyanoquinodimethane) and two different (Mn and Ni) 3d transition metal atoms [M(3d)] show marked differences that are explained using ...
We carried out ac magnetic susceptibility measurements and muon spin relaxation spectroscopy on the cubic double perovskite Ba2YMoO 6, down to 50 mK. Below ∼1 K the muon relaxation is typical of a magnetic insulator with a spin-liquid type ground state, i. ...
Institute of Physics (IoP) and Deutsche Physikalische Gesellschaft2013