Crystal structure diversity in the bis hydrotris-(3,5-dimethylpyrazolyl)borate iodouranium(III) complex: from neutral to cationic forms
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This thesis encompasses work on the coordination chemistry and catalytic activity of half sandwich ruthenium(II)-arene phosphine complexes. The investigation of phosphine dissociation and association reactions of these complexes represents the unifying the ...
This thesis deals with the self-organization of individual building blocks, specifically organic molecules and metal atoms, into supramolecular structures on metal surfaces under ultra high vacuum conditions (UHV). Self-organization of supramolecular syste ...
This thesis is concerned with supramolecular architectures assembled at metal surfaces. The investigations pursued two objectives. On the one hand, the focus was placed on the fabrication of low-dimensional surface-supported network structures by applying ...
We investigate the DFT + U approach as a viable solution to describe the low-lying states of ligated and unligated iron heme complexes. Besides their central role in organometallic chemistry, these compounds represent a paradigmatic case where LDA, GGA, an ...
The incommensurate palmierite-like structure of beta-K5Yb(MoO4)(4), potassium ytterbium tetramolydate, has been refined in the (3 + 1)- dimensional monoclinic superspace group X2/m(0 rho 0) 00, with X = [0 0 0 0; 1/2 1/2 0 0; 0 0 1/2 1/2; 1/2 1/2 1/2 1/2] ...
Experimental uncertainties concerning the coordination mode of trivalent plutonium in concentrated LiCl have led us to theoretically evaluate the f-f transitions of a series of rare earth aquo and chloro complexes. The calculation of Pr(III), U(III), Np(II ...
The hexadentate bispidine-based ligand 2,4-bis(2-pyridyl)-3,7-bis(2-methylenepyridine)-3,7-diazabicyclo[3.3.1]nonane-9-on-1,5-bis(carbonic acid methyl ester), L-6m, with four pyridine and two tertiary amine donors, based on a very rigid diazaadamantane-der ...
Mononuclear trivalent lanthanide complexes with formula [Ln(L)(NO3)3] [in which L=4,4-difluoro-8-(2:2;6:2-terpyridin-4-yl)-1,3,5,7-tetramethyl-2,6-diethyl-4-bora-3a,4a-diaza-s-indacene (Boditerpy)] are reported for Ln=Yb, Nd, Er, La and Gd. According to th ...
The mol. vol. Vm (i.e., the sum of the ionic vols. Vion of the constituent ions) of an ionic liq. (IL) in combination with an anion-dependent empirical relationship is all one needs to predict phys. properties such as viscosity, cond., and d. of [N(CN)2]-, ...
