Polyurethane sponges bearing cucurbituril adsorb Cr(III) and Pb(II) ions from contaminated water samples.

Water contamination with toxic metals causes harmful effects on the environment and to human health. Although cucurbiturils have carboxyl groups in their portal that can interact with metal ions, there is a lack of studies about their use as metal adsorbent. This scenario has motivated conduction of the present study, which addresses the use of cucurbit[6]uril (CB[6]) and cucurbit[8]uril (CB[8]) for adsorbing Pb and Cr from water samples, in free forms and immobilized in poly(urethane) sponges. The adsorption kinetics revealed that CB[8] leads to faster adsorption compared to CB[6], with equilibrium achieved in 8 h for CB[8] and 48 h for CB[6] for both metals, and achieved up to 80% of decrease in metal concentration. The Langmuir isotherm model provided a better description of adsorption for Cr and Pb in CB[6] and Pb in CB[8] with a maximum concentration adsorbed of 32.47 mg g-1 for Pb in CB[6], while the Dubinin-Radushkevich model was more suitable for Cr adsorption in CB[8]. Sponges containing CB[6] and CB[8] have proven to be efficient for Pb and Cr remediation in tannery effluent samples, reducing Cr and Pb concentration by 42 and 33%, respectively. The results indicate that CB[6] and CB[8], whether used in their pure form or integrated into sponges, exhibit promising potential for efficiently adsorbing metals in aqueous contaminated environments.

Excited electronic states, transition probabilities, and radiative lifetimes of CAs: a theoretical contribution and challenge to experimentalists.

High-level CASSCF/MRCI calculations with a quintuple-ζ quality basis set are reported by characterizing for the first time a manifold of electronic states of the CAs radical yet to be investigated experimentally. Along with the potential energy curves and the associated spectroscopic constants, the dipole moment functions for selected electronic states as well as the transition dipole moment functions for the most relevant electronic transitions are also presented. Estimates of radiative transition probabilities and lifetimes complement this investigation, which also assesses the effect of spin-orbit interaction on the A (2)Π state. Whenever pertinent, comparisons of similarities and differences with the isovalent CN and CP radicals are made.