Quantum chemical calculations of the geometric and electronic structure periodic hybrid compounds representing carbon nanotubes (10,0) with zinc phthalocyanine molecules ZnPc-xpy (x = 0, 1, 2, 4) on their surface interaction ammonia were carried out to explain dependence sensor response materials number substituents in macrocycle clarify nature between molecules. It was found that key feature t...

Computational chemistry is used to study a 1,3-dipolar cycloaddition between an azide and an alkyne inside the macrocycle cucurbit[6]uril, in order to elucidate the catalytic function of a highly efficient supramolecular catalyst.

A fluorescent bistable pseudorotaxane was devised and shown to display pH-gated photoresponsive ring shuttling. At pH > 7.5 shuttling does not take place after light stimulation while at pH ≈ 5 the macrocycle is quantitatively translocated.

A novel bis-platinum(II) terpyridine-based macrocycle has been quantitatively obtained by self-assembly; the Pt(II) host binds neutral planar and electron-rich aromatic guests with good selectivity in DMSO.

The reaction of a corrole with 4-amino-4H-1,2,4-triazole affords an unprecedented 6-azahemiporphycene structure through macrocycle ring expansion; this is a further example of interconversion between different classes of tetrapyrroles.

The reaction of a heteroligated Rh(I) bimetallic macrocycle with rigid ditopic ligands (1,4-dicyanobenzene, 4-4'-dicyanobiphenyl, or dipyridyl terminated salen ligand 5) results in the formation of tetrametallic rectangular box complexes.

Attachment of a laterally non-symmetric cryptand and a macrocycle at the 9- and 10-positions of anthracene leads to a fluorescent signaling system L1 which gives fluorescence enhancement in the simultaneous presence of alkali and transition metal ions.

A second generation palladium(II)-complexed molecular shuttle, featuring structural changes to the size and shape of the macrocycle, shows significantly increased rates of shuttling and improved co-conformational bias compared to the original system.

An unprecedented polynuclear metal cluster-pillared triangular prism was built by a macrocycle-directing strategy. Discrete architectures of three silver cluster-involved metallosupramolecules were characterized by single crystal X-ray crystallography and spectroscopy studies.

Calix[4]pyrroles can be obtained from the efficient preprogrammed condensation between acetone and pyrrole. This reaction forms attractive macrocycle resembling in its constitution, but not oxidation state, to porphyrin structure, prominently present vital “pigments of life”. Calix[2]pyrrolidine[2]pyrrole calix[4]pyrrolidine, partially totally reduced version macrocycle, became accessible throu...