✍ Scribed by Bartol, Jessica; Comba, Peter; Melter, Michael; Zimmer, Marc
No coin nor oath required. For personal study only.
To date, no conformational search of inorganic complexes has been reported that searches for all the conformations and configurations available to the complex. This is due to the various coordination geometries that transition metal ions can adopt and the difficulties in conducting conformational searches with systems that have connected ring systems, such as the ones formed when a Äw Ž . x 3q metal ion binds a multidentate ligand. Using three test complexes Co dien , 2 w Ž .Ž .x 3q w Ž . Ž . q 4 Co dien dpt , and Co hexamethylcyclam Cl the ability of the random 2 Ž . kick Cartesian stochastic Monte Carlo search method and the Monte Carlo dihedral and positional method to find all conformations and geometric isomers Ž Ž .
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The syntheses of N,N '-bis-[(2-pyridylmethyl)]-1,3-diamido-Ni(II) Ͻ Cu(II), and this is confirmed by the potentiometric data (papH 2 , aqueous solutions; logβ ML [Co(II)] = 1.75; propane (papH 2 ) and N,N '-bis-[(2-pyridylmethyl)]-1,3diamido-2-hexadecylpropane (C 16 papH 2 ) are reported logβ MLH-2