Multistep synthetic routes to eight structurally diverse and medicinally relevant targets were planned autonomously by the Chematica computer program, which combines expert chemical knowledge with network-search and artificialintelligence algorithms. All of the proposed syntheses were successfully executed in the laboratory and offer substantial yield improvements and cost savings over previous approaches or provide the first documented route to a given target. These results provide the long-awaited validation of a computer program in practically relevant synthetic design.

DNA binding and cells' cycle disorders caused by four new dinuclear Ag(i) and Cu(i) double helicates with quaterpyridine ligands.

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Unique organic scaffold to study how subtle structural differences affect the slow magnetic relaxation in S = ½ Cu(ii) systems.

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Chemically and electrochemically induced interconversion between five one-stranded complexes of copper(II) and the respective double-stranded helicates of copper(I) bearing the ligand 6,6′′′-dimethyl-2,2′:6′,2′′:6′′,2′′′-quaterpyridine (L) culminated in different luminescence properties. Five new mononuclear complexes of copper(II) bearing the ligand L {[Cu II LCl 2 ] (1), [Cu II L(ClO 4 ) 2 ] (2), [Cu II L(NO 3 ) 2 ] (3), [Cu II L(CF 3 SO 3 ) 2 ] (4), and [a] 861 [a] Standard uncertainties are given in parentheses. [b] A, B, C, and D denote the least-squares planes of the pyridine rings in quaterpyridine.

Current advances in molecular magnetism are aimed at the construction of molecular nanomagnets and spin qubits for their utilization as high-density data storage materials and quantum computers. Mononuclear coordination compounds with low spin values of S=½ are excellent candidates for this endeavour, but their construction via rational design is limited. This particularly applies to the single copper(II) spin center, having been only recently demonstrated to exhibit slow relaxation of magnetisation in the appropriate octahedral environment. We have thus prepared a novel, modular organic scaffold that would allow one to gain in-depth insight into how purposeful structural differences affect the slow magnetic relaxation in monometallic, transition metal complexes. As a proof-of-principle, we demonstrate how one can construct two, structurally very similar complexes with isolated Cu(II) ions in an octahedral ligand environment, the magnetic properties of which differ significantly. The differences in structural symmetry effects and in magnetic relaxation are corroborated with a series of experimental and theoretical techniques, showing how symmetry distortions and crystal packing affect the relaxation behaviour in these isolated Cu(II) systems. Our highly modular organic platform can be efficiently utilized for the construction of various transition-metal ion systems in the future, effectively providing a model system for investigation of magnetic relaxation via targeted structural distortions.