Self-assembly of [2]Rotaxane Exploiting Reversible Pt(II)- Pyridine Coordinate Bonds

Anion−π−π Interactions in a Dinuclear M2L2Metallocycle

“…The metallocycle 1 (M 2 L 2 ) was obtained in quantitative yield by simply mixing 2 with 3 in a 1:1 ratio at room temperature in CHCl 3 - d (Scheme ). The M 2 L 2 metallocycle was characterized by multinuclear NMR spectroscopy and X-ray analysis.…”

Improved Description of a Coordinate Bond in the ReaxFF Reactive Force Field

“…4 As a more complex case, mechanically interlocked molecules such as rotaxanes, which are well-known as key elements of molecular-scale devices, can be self-assembled through cycles of formation and dissociation of coordinate bonds. 5 Coordinate bonds also play a significant role in biological systems, such as in protein folding, where ligand exchange of the cofactor can provide various landscapes for protein folding, depending on the coordinate bonds between the metals and ligands. 6 To explore the chemical reaction mechanisms underlying the macroscopic features in such complex systems, computational chemistry, particularly, the ab initio method, has been successfully utilized.…”

“…Additionally, coordinate bonds are observed in organometallic compounds, such as [Co­(NH 3 ) 6 ] 3+ , which can have various oxidation states resulting from the coordinate bond between the metal atom and the ligand molecules . As a more complex case, mechanically interlocked molecules such as rotaxanes, which are well-known as key elements of molecular-scale devices, can be self-assembled through cycles of formation and dissociation of coordinate bonds . Coordinate bonds also play a significant role in biological systems, such as in protein folding, where ligand exchange of the cofactor can provide various landscapes for protein folding, depending on the coordinate bonds between the metals and ligands …”