Structure and selected properties of Al-Cr-Fe alloys with the presence of structurally complex alloy phases.

The aim of the study was to supplement the data on the Al65Cr20Fe15 alloy with binary phase structure and the Al71Cr24Fe5 alloy with multiphase structure prepared with two different cooling rates from the liquid state. The presence of the structurally complex Al65Cr27Fe8 phase was confirmed by neutron diffraction, scanning electron microscopy with the analysis of chemical composition and transmission electron microscopy. Additionally, the Al8Cr5 phase with γ-brass structure was identified for Al71Cr24Fe5 alloy in both cooling rates from the liquid state. Due to the interesting features of structurally complex alloys, the wear resistance, magnetic properties, and corrosion products after performing electrochemical tests were examined. Based on pin-on-disc measurements, a lower friction coefficient was observed for the Al65Cr20Fe15 alloy (µ ≈ 0.55) compared to the Al71Cr24Fe5 multiphase alloy (µ ≈ 0.6). The average hardness of the binary phase Al65Cr20Fe5 alloy (HV0.1 = 917 ± 30) was higher compared to the multiphase Al71Cr24Fe5 alloy (HV0.1 = 728 ± 34) and the single phase Al-Cr-Fe alloys described in the literature. Moreover, the beneficial effect of rapid solidification on hardness was demonstrated. The alloys Al65Cr20Fe15 and Al71Cr24Fe5 showed paramagnetic behavior, however rapidly solidified Al71Cr24Fe5 alloy indicated an increase of magnetic properties. The studied alloys were characterized by the presence of passive layers after electrochemical tests. A higher amount of oxides on the surface of the Al71Cr24Fe5 alloy was recorded due to the positive effect of chromium on the stabilization of the passive layer.

Quantum-chemical calculations of the electronic structure of 2-amino-1,3-dicyano-5,6,7,8-tetrahydronaphthalene derivatives.

The UV-Visible absorption spectra of six, newly synthesized donor-substituted 2-amino-1,3-dicyano-5,6,7,8-tetrahydronaphthalene have been measured in methylcyclohexane (MCH) and assigned with the help of quantum-chemical calculations. Our calculations have been performed to assess information regarding the electronic state energy values, corresponding oscillator strengths, x-, y-, z-components of the transition dipole moments and molecular orbitals involved in the main electronic transitions of the studied compounds. Additionally, the experimental absorption transition dipole moments were calculated, on the basis of spectroscopic data, and compared with results of our quantum-chemical calculations. On the basis of the experimental results and quantum-chemical calculations, it was shown that the long-wavelength absorption band involves an overlap of three electronic transitions of different character. For all studied donor-acceptor (D-A) compounds in vapour-phase, the long-wavelength transition (S0→S1) does not possess charge transfer character, whereas the S0→S2 transition possesses electron transfer character e.g., π-electrons of the acceptor moiety are moved to the donor part. Moreover, it is found that the electronic structure of the studied biphenyl derivatives can be approximately described within composite-model of decoupled moieties: donor and acceptor.