Design, synthesis, and evaluation of nonaqueous silylamines for efficient CO2 capture.

A series of silylated amines have been synthesized for use as reversible ionic liquids in the application of post-combustion carbon capture. We describe a molecular design process aimed at influencing industrially relevant carbon capture properties, such as viscosity, temperature of reversal, and enthalpy of regeneration, while maximizing the overall CO2 -capture capacity. A strong structure-property relationship among the silylamines is demonstrated in which minor structural modifications lead to significant changes in the bulk properties of the reversible ionic liquid formed from reaction with CO2 .

The synthesis and the chemical and physical properties of non-aqueous silylamine solvents for carbon dioxide capture.

Silylamine reversible ionic liquids were designed to achieve specific physical properties in order to address effective CO₂ capture. The reversible ionic liquid systems reported herein represent a class of switchable solvents where a relatively non-polar silylamine (molecular liquid) is reversibly transformed to a reversible ionic liquid (RevIL) by reaction with CO₂ (chemisorption). The RevILs can further capture additional CO₂ through physical absorption (physisorption).

Bond dissociation energies in second-row compounds.

Heats of formation at 0 and 298 K are predicted for PF3, PF5, PF3O, SF2, SF4, SF6, SF2O, SF2O2, and SF4O as well as a number of radicals derived from these stable compounds on the basis of coupled cluster theory [CCSD(T)] calculations extrapolated to the complete basis set limit. In order to achieve near chemical accuracy (+/-1 kcal/mol), additional corrections were added to the complete basis set binding energies based on frozen core coupled cluster theory energies: a correction for core-valence effects, a correction for scalar relativistic effects, a correction for first-order atomic spin-orbit effects, and vibrational zero-point energies. The calculated values substantially reduce the error limits for these species.