Atmospheric Initial Nucleation Containing Carboxylic Acids.

The possible involvement of chemical components in atmospheric new particle formation has received increased attention in recent years. However, the deep understanding of the clusters formed between atmospheric gas-phase organic acids is incomplete. In this work, the chemical and physical properties of the cluster formed between three organic acids [glyoxylic acid (GA), oxalic acid (OA), and pyruvic acid (PA)] with common atmospheric nucleation precursors [methyl hydrogen sulfate (MHS), methanesulfonic acid (MSA), and hydroxymethanesulfonic acid (HMSA)] have been investigated with density functional theory and ab initio coupled-cluster singles and doubles with perturbative triples (CCSD(T)) theory.

FTIR study of hydrogen bonding interaction between fluorinated alcohol and unsaturated esters.

The 1:1 complexes of two unsaturated esters with 2,2,2-trifluoroethanol (TFE) were investigated experimentally and computationally. The experimental observations of the spectral shifts of the OH-stretching vibrational transitions were obtained at 113cm for TFE-methyl acrylate (MA) and 92cm for TFE-vinyl acetate (VA). There are three docking sites in the two unsaturated esters for the incoming TFE.