Herein, bipyridinium-based ionic covalent triazine frameworks (ICTFs) were synthesized via ZnCl2-catalyzed ionothermal polymerization. The as-prepared ICTFs had a satisfactory total pore volume and specific surface of approximately 0.4582 cm(3) g(-1) and 1000 m(2) g(-1), respectively. Moreover...
3a). The similar chemical bonding occurs in the case of structure c, whose σ bond is between the C and S atoms, while there is no S-pyrrole covalent bonding in the case of structure e. Thus in e, three electron lone pairs with two on N and one on S constitute the frontier NBO ...
Selective capture of trace sulfur gas by porous covalent-organic materials Chem. Eng. Sci. (2015) X.C. An et al. Rapid capture and efficient removal of low-concentration SO2 in simulated flue gas by hypercrosslinked hollow nanotube ionic polymers Chem. Eng. J. (2020) Y. Kong et al. Dev...
Su P, Li H (2009) Energy decomposition analysis of covalent bonds and intermolecular interactions. J Chem Phys 131:014102. https://doi.org/10.1063/1.3159673 Article PubMed CAS Google Scholar Szalewicz K (2011) Symmetry-adapted perturbation theory of intermolecular forces. WIREs Comput Mol Sci...
2.3.2. Electrostatic Potential and Non-Covalent Interactions (NCI) Analysis Figure 3 presents the electrostatic potential (ESP) plotted on an isodensity surface for the H2S∙∙∙SO2 complex (left panel) and the H2O∙∙∙SO2 complex (right panel). In the case of H2S∙∙∙SO2,...