Bond strengths, transition metal electronic

In the following, we will discuss a number of different adsorption systems that have been studied in particular using X-ray emission spectroscopy and valence band photoelectron spectroscopy coupled with DFT calculations. The systems are presented with a goal to obtain an overview of different interactions of adsorbates on surfaces. The main focus will be on bonding to transition metal surfaces, which is of relevance in many different applications in catalysis and electrochemistry. We have classified the interactions into five different groups with decreasing adsorption bond strength (1) radical chemisorption with a broken electron pair that is directly accessible for bond formation (2) interactions with unsaturated it electrons in diatomic molecules (3) interactions with unsaturated it electrons in hydrocarbons ... 

Calculations of the electronic structure of the complexes of this type were first carried out for [Tc2C18]3, using the semi-empirical EHT method [146], It was shown that a strong quadruple M-M bond is formed in both the d4-d4 binuclear transition-metal complexes and d4-d5 technetium complexes. The addition of an excess electron does not decrease the Tc-Tc bond strength,... 

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