Tuning the π‐Accepting Properties of Mesoionic Carbenes: A Combined Computational and Experimental Study
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N-Heterocyclic carbenes (NHCs) react at ambient conditions with nitrous oxide to give covalent adducts. In the crystal, all compounds show a bent N2O group connected via the N-atom to the former carbene carbon atom. Most adducts are stable at room temperat ...
Several important societal and economic world problems can be addressed by the smart use of technology. The last forty years have witnessed the realization of computational systems and networks, rooted in our ability of crafting complex integrated circuits ...
Background: Recently, the effects of nanogratings have been investigated on PC12 with respect to cell polarity, neuronal differentiation, migration, maturation of focal adhesions and alignment of neurites. Methodology/Principal Findings: A synergistic proc ...
We introduce a new concept in column generation for handling complex large scale optimization problems, called two-stage column generation, where columns for the compact and extensive formulation are simultaneously generated. The new framework is specifica ...
Several important societal and economic world problems can be addressed by the smart use of technology. The last forty years have witnessed the realization of computational systems and networks, rooted in our ability of crafting complex integrated circuits ...
The silver, copper and gold complexes of tripodal N-heterocyclic carbene (NHC) ligand, 1,1,1-tris[(3-methylimidazol-1-yl-2-ylidene)methyl]ethane were prepd. and characterized. The silver complex of the title ligand, TIMEMe was prepd. by reaction of [H3TIME ...
The reaction of the anticancer compound (eta(6)-benzene)Ru(en)(OH2) (1) toward the nucleobases guanine, adenine, and cytosine is studied computationally using DFT/BP86 calculations. The aqua leaving group of such compounds is known to undergo ligand ...
Organometallic ruthenium(II)-arene (RA) antitumour compounds of the general type [Ru(II)(η6-arene)(X)2(pta)], RA-pta, and [Ru(II)(η6-arene)X(en)], RA-en, (X=leaving group; pta=1,3,5-triaza-7-phosphaadamantane, en=ethylenediamine) have been investigated com ...
A review. In an effort to develop new tripodal N-heterocyclic carbene (NHC) ligands for small mol. activation, two new classes of tripodal NHC ligands TIMER and TIMENR were synthesized. The C-anchored tris(carbene) ligand system TIMER (R = Me, t-Bu) forms ...