The differences in the macrocyclic structures lead to different flexibilities, and yet effect of solvents on conformations is not clear so far. In this work, four representational molecules (pillar[5]arene, p-tert-butyl calix[6]arene, benzylic amide macrocycle dibenzo-18-crown-6) three with distinct polarity have been studied by all-atom molecular dynamics simulations. structural features macro...

Cofacial Fe2, Co2, and Ni2 complexes supported by a para-terphenyl diphosphine ligand were prepared. Central arene deplanarization and a μ2:(η(3),η(3)) coordination mode suggest partial bisallyl character in the Fe2 and Co2 complexes. An oxidation induced shift in Fe2-arene binding highlights the non-innocent nature of the arene ligand.

The low density polymorph of the well-known host p-tert-butylcalix[4]arene absorbs more methane than p-tert-pentylcalix[4]arene at room temperature and 1 atm pressure, but the order of absorption is reversed at 38 atm with p-tert-pentylcalix[4]arene absorbing more.

Arene oxide derivatives of carcinogenic polycyclic hydro carbons have been postulated as the reactive intermediates responsible for the in vivo binding of the parent hydrocar bon to cellular nucleic acids. In this study the reaction of 12 different Kand non-K-region arene oxides and 7 benzo(a)pyrene phenols with polyguanylic acid in aqueous acetone solutions has been investigated. The extent of...

For the surface-optoelectronic study of Saxitoxin sensing, we fabricated selfassembled calix[4]arene derivative monolayers as the recognition-functional interfaces on a gold surface. An interaction study between Saxitoxin and calix[4]arene derivative monolayers were performed using surface plasmon resonance (SPR) spectroscopy. Among three calix[4]arene derivatives, calix[4]arene crown ether SAM...

In the title compound, C(6)BrF(4)NO(2), the nitro group is twisted by 41.7 (3)° with reference to the arene ring mean plane. The main inter-actions stabilizing the crystal structure include O⋯Br contacts [3.150 (2) and 3.201 (2) Å], while F⋯F inter-actions are minor [2.863 (3)-2.908 (3) Å].

The selective monoalkylation at the smaller (lower) rim of the p-tert-butylcalix[4]- and -[6]arenes using bis(butyltin)oxide and different alkylating agents is described. The procedure is remarkable for the mild conditions used allowing an efficiently access to monoalkylated calixarene derivatives in moderate to good yields. Monoalkynylcalix[4]arene and monoalkynylcalix[6]arene have been synthe...

We have synthesized a pillar[6]arene in high yield and a co-pillar[6]arene using chlorocyclohexane as a solvent.

Triphosphine and diphosphine ligands with backbones designed to facilitate metal-arene interactions were employed to support multinuclear Ni complexes. Di- and trinuclear metal complexes supported by a triphosphine containing a triarylbenzene linker display diverse metal-arene binding modes. Multinuclear Ni halide complexes were isolated with strongly interacting metal centers bound to opposite...

In the title compound, C(90)H(120)O(18)·2CH(3)CN, the calix[6]arene has a 1,2,3-alternate conformation and possesses inversion symmetry. It crystallizes as an acetonitrile disolvate, with a half-mol-ecule of calix[6]arene and one mol-ecule of solvent in the asymmetric unit. In the crystal, the two solvent mol-ecules are enclosed in voids between the calix[6]arene mol-ecules. They form weak C-H⋯...