Capture of Sulfur Mustard by Pillar[5]arene: From Host-Guest Complexation to Efficient Adsorption Using Nonporous Adaptive Crystals.

ABSTRACT: Sulfur mustard (SM) has been the most frequently used chemical warfare agent. Here, we present the efficient containment of SM and its simulants by per-ethylated pillar[5]arene (EtP5). EtP5 exhibited strong binding abilities toward SM and its simulants not only in solution but also in the solid state. The association constant (K_a) between SM and EtP5 was determined as (6.2 ± 0.6) × 10³ M^-1 in o-xylene-d₁₀. Single crystal structure of SM@EtP5 showed that a 1:1 inclusion complex was formed, which was driven by multiple C-H···π/Cl/S and S···π interactions. In addition, activated crystal materials of EtP5 (EtP5α) could effectively adsorb SM simulants at solid-vapor phase; powder X-ray diffraction patterns and host-g

SUBMITTER: Li B 

PROVIDER: S-EPMC7452326 | biostudies-literature | 2020 Sep

REPOSITORIES: biostudies-literature