By one-electron oxidation of the complexes, d(9) copper(II)-radical ligand complexes are formed in gaseous state. Moreover, gas phase (3)[Cu(L-1)(2)](+) and (3)[Cu(L-2)(2)](+) complexes are more stable than the corresponding geometries with singlet spin configuration. The ...
Here, the structural, electronic and magnetic properties of CuF2 are studied by the first-principles calculations within both the generalized gradient approximation (GGA) and GGA+U frameworks. Our results show that the antiferromagnetic (AFM) configuration of CuF2 is more stable than the ferromagnetic...
It is well known that the configuration of valence electrons is 2s 22p 2 for free C atom. The introduction of a carbon atom in iron clusters can undoubtedly change configuration of valence electrons. From Table 1, we find that the 2p state gains some amount of electrons. However, the 2s ...
Further theoretical calculation indicates that the adsorption of CuPc on a top site is the most favorable configuration, and the separation between the adsorbate and graphene is about 3.47. According to the density of states before and after CuPc adsorption, the LUMO of CuPc is slightly occupied...
Another example is copper (Cu), which has an atomic number of 29 and 29 electrons. According to the Aufbau principle, its electronic configuration should be [Ar] 4s^2 3d^9, where [Ar] represents the configuration of argon (Ar). However, this configuration is not very stable because the ...
Spectroscopic methods combined with density functional calculations are used to develop a detailed bonding description of the μ4-sulfide bridged tetranuclear CuZ cluster in N2O reductase. The ground state of CuZ has the 1CuII/3CuI configuration. The single electron hole dominantly resides on one Cu...
Probing the Electronic Structures of [Cu2(μ-XR2)]n+ Diamond Cores as a Function of the Bridgi... A series of dicopper diamond core complexes that can be isolated in three different oxidationstates ([Cu 2 (渭-XR 2 )] n + , where n = 0, 1, 2 and X = N or... JC Peters,...
Figure 2 Fabrication process: (A) Design of the planar e-strip, with copper traces etched on PI film, and the e-strip end angled so that an attached connector aligns with the core; (B) Illustration of the fabrication process of a planar LED e-strip; (C) Finished planar e-strips, wit...
The stiff compromise between reliability and conductivity of copper interconnects used in sub-nanometer nodes has brought into focus the choice of encapsulation material. While reliability was the primary driver so far, herein, we investigate how electronic conductivity of Cu(111) thin films is influen...
Most of the clusters show their magnetic moment strongly depending on the size, the symmetry, the configuration, and the composition. An interesting finding is that the magnetic moment per atom in NiNb and Ni 2 Nb clusters shows a larger value (i.e., 1.5 and 1.0 μ B ) than that of ...