Interaction of oxalic acid with methylamine and its atmospheric implications

• DOI: 10.1039/c7ra13670f
• Publication Date: 2018-02-14T08:53:57Z
• Authors: Yu Hong; Yi-Rong Liu; Hui Wen; Shou-Kui Miao; Teng Huang; Xiu-Qiu Peng; Shuai Jiang; Ya-Juan Feng; Wei Huang
• Keywords: Oxalic Acid

Oxalic acid, which is one of the most common dicarboxylic acids, expected to be an important component atmospheric aerosols. However, contribution oxalic acid generation new particles still poorly understood. In this study, structural characteristics and thermodynamics (C2H2O4)(CH3NH2) n (n = 1-4) were investigated at PW91PW91/6-311++G(3df,3pd) level theory. We found that clusters formed by methylamine are relatively stable, more atoms participating in formation a ring-like structure, stable cluster. addition, via analysis relevance, it can revealed have noteworthy concentration atmosphere, indicates these could particle formation. Moreover, comparison with (H2C2O4)(NH3) 1-6) species, seen readily bound than ammonia, promotes nucleation or Finally, Rayleigh scattering properties for first time determine their implications.